10,11-dihydro-5-methyl-5H-pyrido[3,4-f]pyrrolo[1,2-b][1,2,5]triazepine

HCID 14601948

Notes Reactions

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Basic information

Standard SMILES: CN1c2ccncc2NCc2cccn21
InChIKey: VJCKADNCTQQNAI-UHFFFAOYSA-N
Molecular formula: C11H12N4
Average molar mass: 200.24 g/mol
Monoisotopic mass: 200.1061964

Names & identifiers

Preferred name: 10,11-dihydro-5-methyl-5H-pyrido[3,4-f]pyrrolo[1,2-b][1,2,5]triazepine
IUPAC: 2-methyl-2,3,9,12-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene

Names & synonyms

SCHEMBL9789046VJCKADNCTQQNAI-UHFFFAOYSA-N10,11-dihydro-5-methyl-5H-pyrido[3,4-f]pyrrolo[1,2-b][1,2,5]triazepine

Database identifiers

PubChem CID: 14601948

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 233

Related reactions

10 records

New reaction record

HRID 699000As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 982320As productuspto-grants-1991_02

HRID 982325As reactantuspto-grants-1991_02

HRID 982326As reactantuspto-grants-1991_02

HRID 1239436As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1638379As productuspto-grants-1989_11

HRID 1638384As reactantuspto-grants-1989_11

HRID 1638385As reactantuspto-grants-1989_11

Compound notes

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