6-Amino-2-ethyl-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Completing data — refresh the page later to see the latest
Basic information
- CAS
439127-86-3- Standard SMILES
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccncc3)C2C1- InChIKey
YSDSGEOWRICUBQ-UHFFFAOYSA-N- Molecular formula
- C19H18N6
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.1592946
Names & identifiers
- Preferred name
- 6-Amino-2-ethyl-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
- IUPAC
- 6-amino-2-ethyl-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
- English name
- 6-amino-2-ethyl-8-(4-pyridinyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
- Molecular formula
- C19H18N6
- Molecular weight
- 330.39
Names & synonyms
439127-86-36-amino-2-ethyl-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile6-amino-2-ethyl-8-(4-pyridinyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile6-amino-2-ethyl-8-(pyridin-4-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrileOprea1_578954AK-777/11501064STK805605AKOS001615276AKOS016349076ST0977626-amino-2-ethyl-8-(4-pyridyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarb onitrile5,7,7(1H)-Isoquinolinetricarbonitrile, 6-amino-2-ethyl-2,3,8,8a-tetrahydro-8-(4-pyridinyl)-
Database identifiers
- CAS
439127-86-3- PubChem CID
- 4268214
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
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Compound notes
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