8aH-pyrido[4,3-e][1,2,4]triazin-8-one

C6H4N4O — CID 75088779

IUPAC8aH-pyrido[4,3-e][1,2,4]triazin-8-one
SMILESO=C1N=CC=C2N=CN=NC12
InChIInChI=1S/C6H4N4O/c11-6-5-4(1-2-7-6)8-3-9-10-5/h1-3,5H
InChIKeyRLLDLYDYDNRLFI-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.34
Rot. Bonds

About 8aH-pyrido[4,3-e][1,2,4]triazin-8-one

8aH-pyrido[4,3-e][1,2,4]triazin-8-one (PubChem CID 75088779) has the molecular formula C6H4N4O and a molecular weight of 148.12 g/mol. Its IUPAC name is 8aH-pyrido[4,3-e][1,2,4]triazin-8-one.

Molecular Properties

Compound Name8aH-pyrido[4,3-e][1,2,4]triazin-8-one
PubChem CID75088779
Molecular FormulaC6H4N4O
Molecular Weight148.12 g/mol
Exact Mass148.04
IUPAC Name8aH-pyrido[4,3-e][1,2,4]triazin-8-one
SMILESO=C1N=CC=C2N=CN=NC12
InChIInChI=1S/C6H4N4O/c11-6-5-4(1-2-7-6)8-3-9-10-5/h1-3,5H
InChIKeyRLLDLYDYDNRLFI-UHFFFAOYSA-N
XLogP0.34
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-4aH-1,6-naphthyridin-5-one
CID 178188823
4-methyl-2-oxo-3H-pyridine-3-carboxylic acid
CID 85439143
7aH-thieno[2,3-c]pyridin-7-one
CID 76845842
3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride
CID 76847940
3-bromo-3aH-thieno[3,2-c]pyridin-4-one
CID 73446382
2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one
CID 73374270
7-amino-8aH-isoquinolin-1-one
CID 71651027
2-bromo-2H-pyrazin-3-one
CID 69216351
3-chloropyrrol-2-one
CID 151737399
(8aS)-1-oxo-8aH-isoquinoline-6-carboxylic acid
CID 129407549
3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one
CID 88830096
4aH-cyclohepta[d]pyrimidine
CID 45080384

Frequently Asked Questions

What is the IUPAC name of 8aH-pyrido[4,3-e][1,2,4]triazin-8-one?
The IUPAC name of 8aH-pyrido[4,3-e][1,2,4]triazin-8-one (CID 75088779) is 8aH-pyrido[4,3-e][1,2,4]triazin-8-one.
What is the SMILES notation for 8aH-pyrido[4,3-e][1,2,4]triazin-8-one?
The canonical SMILES for 8aH-pyrido[4,3-e][1,2,4]triazin-8-one is O=C1N=CC=C2N=CN=NC12.
What is the InChIKey of 8aH-pyrido[4,3-e][1,2,4]triazin-8-one?
The InChIKey is RLLDLYDYDNRLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O/c11-6-5-4(1-2-7-6)8-3-9-10-5/h1-3,5H.
What are the key properties of 8aH-pyrido[4,3-e][1,2,4]triazin-8-one?
8aH-pyrido[4,3-e][1,2,4]triazin-8-one has a molecular weight of 148.12 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-pyrido[4,3-e][1,2,4]triazin-8-one is sourced from PubChem (CID 75088779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).