7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H18N6O — CID 95344614

IUPAC7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN[C@@H]3CCc4ncnn4C3)cc(=O)n2c1
InChIInChI=1S/C16H18N6O/c1-11-2-4-15-20-13(6-16(23)21(15)8-11)7-17-12-3-5-14-18-10-19-22(14)9-12/h2,4,6,8,10,12,17H,3,5,7,9H2,1H3/t12-/m1/s1
InChIKeyPBYUGPKZYPTEAG-GFCCVEGCSA-N
MW310.36 g/mol
LogP0.70
Rot. Bonds3

About 7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 95344614) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID95344614
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN[C@@H]3CCc4ncnn4C3)cc(=O)n2c1
InChIInChI=1S/C16H18N6O/c1-11-2-4-15-20-13(6-16(23)21(15)8-11)7-17-12-3-5-14-18-10-19-22(14)9-12/h2,4,6,8,10,12,17H,3,5,7,9H2,1H3/t12-/m1/s1
InChIKeyPBYUGPKZYPTEAG-GFCCVEGCSA-N
XLogP0.70
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 95313954
2-[[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95351895
(6R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95314631
(6S)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291259
(6R)-N-[(1-phenyltriazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95313962
(6S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291898
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119923563
N-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 86893855
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 130678390
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
(6S)-N-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291269
(6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329007

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 95344614) is 7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN[C@@H]3CCc4ncnn4C3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PBYUGPKZYPTEAG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-2-4-15-20-13(6-16(23)21(15)8-11)7-17-12-3-5-14-18-10-19-22(14)9-12/h2,4,6,8,10,12,17H,3,5,7,9H2,1H3/t12-/m1/s1.
What are the key properties of 7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 310.36 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95344614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).