5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H13N7O — CID 114455285

IUPAC5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3Cc4nc[nH]c4CN3)nc2n1
InChIInChI=1S/C12H13N7O/c1-6-2-10(20)19-12(16-6)17-11(18-19)8-3-7-9(4-13-8)15-5-14-7/h2,5,8,13H,3-4H2,1H3,(H,14,15)(H,16,17,18)
InChIKeyGDPCWRJQRGMQRM-UHFFFAOYSA-N
MW271.28 g/mol
LogP-0.16
Rot. Bonds1

About 5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 114455285) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID114455285
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3Cc4nc[nH]c4CN3)nc2n1
InChIInChI=1S/C12H13N7O/c1-6-2-10(20)19-12(16-6)17-11(18-19)8-3-7-9(4-13-8)15-5-14-7/h2,5,8,13H,3-4H2,1H3,(H,14,15)(H,16,17,18)
InChIKeyGDPCWRJQRGMQRM-UHFFFAOYSA-N
XLogP-0.16
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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CID 156868790
6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 115278225
2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine
CID 79341689
3-ethyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79343357
2-[1,2-dihydroxy-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14985283
3-propyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79343799
bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride
CID 10257356
6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 115472628
3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 116807674
3-cyclopropyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
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3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 114455285) is 5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C3Cc4nc[nH]c4CN3)nc2n1.
What is the InChIKey of 5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GDPCWRJQRGMQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c1-6-2-10(20)19-12(16-6)17-11(18-19)8-3-7-9(4-13-8)15-5-14-7/h2,5,8,13H,3-4H2,1H3,(H,14,15)(H,16,17,18).
What are the key properties of 5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 271.28 g/mol, XLogP of -0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 114455285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).