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

C13H14N6O — CID 62671071

IUPAC2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCn1cnnc1CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H14N6O/c1-18-9-15-17-12(18)8-14-7-10-6-13(20)19-5-3-2-4-11(19)16-10/h2-6,9,14H,7-8H2,1H3
InChIKeyWYAOLGAYXCEGGZ-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.11
Rot. Bonds4

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

2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62671071) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62671071
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCn1cnnc1CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H14N6O/c1-18-9-15-17-12(18)8-14-7-10-6-13(20)19-5-3-2-4-11(19)16-10/h2-6,9,14H,7-8H2,1H3
InChIKeyWYAOLGAYXCEGGZ-UHFFFAOYSA-N
XLogP0.11
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62671071) is 2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cn1cnnc1CNCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WYAOLGAYXCEGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-18-9-15-17-12(18)8-14-7-10-6-13(20)19-5-3-2-4-11(19)16-10/h2-6,9,14H,7-8H2,1H3.
What are the key properties of 2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 270.30 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62671071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).