2-{2-[(1e)-3,3-Diethyltriaz-1-en-1-yl]phenyl}quinazolin-4-amine
Basic information
- CAS
52698-03-0- Standard SMILES
CCN(CC)N=Nc1ccccc1-c1nc(N)c2ccccc2n1- InChIKey
RXYOOLGHZHSXCS-UHFFFAOYSA-N- Molecular formula
- C18H20N6
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.17494466
Names & identifiers
- Preferred name
- 2-{2-[(1e)-3,3-Diethyltriaz-1-en-1-yl]phenyl}quinazolin-4-amine
- IUPAC
- 2-[2-(diethylaminodiazenyl)phenyl]quinazolin-4-amine
Names & synonyms
52698-03-02-{2-[(1e)-3,3-diethyltriaz-1-en-1-yl]phenyl}quinazolin-4-amine2-(2-(3,3-Diethyltriaz-1-en-1-yl)phenyl)quinazolin-4-amineNSC163420DTXSID60303908NSC-1634204-Quinazolinamine,3-diethyl-1-triazenyl)phenyl]-
Database identifiers
- CAS
52698-03-0- PubChem CID
- 294599
- DTXSID
DTXSID60303908
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 410
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Compound notes
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