Tert-butyl 3-methyl-5,8-dihydropyrido[4,3-e][1,2,4]triazine-7(6h)-carboxylate

HCID 69192079
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Basic information

Standard SMILES
Cc1nnc2c(n1)CCN(C(=O)OC(C)(C)C)C2
InChIKey
KYCOPBWUTTWJMV-UHFFFAOYSA-N
Molecular formula
C12H18N4O2
Average molar mass
250.3 g/mol
Monoisotopic mass
250.14297583

Names & identifiers

Preferred name
Tert-butyl 3-methyl-5,8-dihydropyrido[4,3-e][1,2,4]triazine-7(6h)-carboxylate
IUPAC
tert-butyl 3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazine-7-carboxylate

Names & synonyms

SCHEMBL4791253KYCOPBWUTTWJMV-UHFFFAOYSA-Ntert-butyl 3-methyl-5,8-dihydropyrido[4,3-e][1,2,4]triazine-7(6h)-carboxylate

Database identifiers

PubChem CID
69192079

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
68.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
18

Related reactions

1 records
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Compound notes

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