3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione

C7H7N3O2 — CID 142258519

IUPAC3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione
SMILESO=C1NNC(=O)N2C=CC=CC12
InChIInChI=1S/C7H7N3O2/c11-6-5-3-1-2-4-10(5)7(12)9-8-6/h1-5H,(H,8,11)(H,9,12)
InChIKeyNHTDQMRHQIAAQS-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.51
Rot. Bonds

About 3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione

3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione (PubChem CID 142258519) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione.

Molecular Properties

Compound Name3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione
PubChem CID142258519
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione
SMILESO=C1NNC(=O)N2C=CC=CC12
InChIInChI=1S/C7H7N3O2/c11-6-5-3-1-2-4-10(5)7(12)9-8-6/h1-5H,(H,8,11)(H,9,12)
InChIKeyNHTDQMRHQIAAQS-UHFFFAOYSA-N
XLogP-0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23507772
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(11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one
CID 7055646
4-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1,9a-dihydropyrido[1,2-a]pyrimidin-2-one
CID 10670401
3-amino-1-hydroxy-3H-azepin-2-one
CID 70235739
3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 163739368
(3R)-3-amino-1-methyl-3H-azepin-2-one
CID 162732977
1-methyl-2-(1-methyl-2H-pyridin-6-yl)-2H-pyridine
CID 22964177
6,10b-dihydropyrido[1,2-b]isoindol-6-yl(phenyl)methanone
CID 135011218
2-phenyl-2H-pyridin-1-amine
CID 152538395
1-methyl-8aH-cyclohepta[b]pyrrole
CID 90814916
(1R,2S,5S,6R)-3-azatricyclo[4.4.1.02,5]undeca-7,9-dien-4-one
CID 100895297

Frequently Asked Questions

What is the IUPAC name of 3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione?
The IUPAC name of 3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione (CID 142258519) is 3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione.
What is the SMILES notation for 3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione?
The canonical SMILES for 3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione is O=C1NNC(=O)N2C=CC=CC12.
What is the InChIKey of 3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione?
The InChIKey is NHTDQMRHQIAAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c11-6-5-3-1-2-4-10(5)7(12)9-8-6/h1-5H,(H,8,11)(H,9,12).
What are the key properties of 3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione?
3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione has a molecular weight of 165.15 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione is sourced from PubChem (CID 142258519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).