2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H20N6O — CID 95314246

IUPAC2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCC[C@@H](Cn3cncn3)C2)nc2ccccn12
InChIInChI=1S/C17H20N6O/c24-17-8-15(20-16-5-1-2-7-23(16)17)11-21-6-3-4-14(9-21)10-22-13-18-12-19-22/h1-2,5,7-8,12-14H,3-4,6,9-11H2/t14-/m1/s1
InChIKeyJBHNFTPPZNNTSP-CQSZACIVSA-N
MW324.39 g/mol
LogP1.20
Rot. Bonds4

About 2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 95314246) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID95314246
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCC[C@@H](Cn3cncn3)C2)nc2ccccn12
InChIInChI=1S/C17H20N6O/c24-17-8-15(20-16-5-1-2-7-23(16)17)11-21-6-3-4-14(9-21)10-22-13-18-12-19-22/h1-2,5,7-8,12-14H,3-4,6,9-11H2/t14-/m1/s1
InChIKeyJBHNFTPPZNNTSP-CQSZACIVSA-N
XLogP1.20
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 56802658
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 81495729
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
2-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95312010
2-[5-[(3S)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126429526
6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97326134
1,3-dimethyl-6-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 95609098
2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975427
6-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 95311215
2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95341610
2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62046354
2-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92853203

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 95314246) is 2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCC[C@@H](Cn3cncn3)C2)nc2ccccn12.
What is the InChIKey of 2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JBHNFTPPZNNTSP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N6O/c24-17-8-15(20-16-5-1-2-7-23(16)17)11-21-6-3-4-14(9-21)10-22-13-18-12-19-22/h1-2,5,7-8,12-14H,3-4,6,9-11H2/t14-/m1/s1.
What are the key properties of 2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 324.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95314246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).