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

C14H16N6O — CID 62671072

IUPAC2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(NCc1cc(=O)n2ccccc2n1)c1nncn1C
InChIInChI=1S/C14H16N6O/c1-10(14-18-16-9-19(14)2)15-8-11-7-13(21)20-6-4-3-5-12(20)17-11/h3-7,9-10,15H,8H2,1-2H3
InChIKeyOVDOITNRDNCFHE-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.67
Rot. Bonds4

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

2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62671072) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62671072
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(NCc1cc(=O)n2ccccc2n1)c1nncn1C
InChIInChI=1S/C14H16N6O/c1-10(14-18-16-9-19(14)2)15-8-11-7-13(21)20-6-4-3-5-12(20)17-11/h3-7,9-10,15H,8H2,1-2H3
InChIKeyOVDOITNRDNCFHE-UHFFFAOYSA-N
XLogP0.67
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-hydroxy-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylnicotinamide
CID 70728441
5-(dimethylamino)-2-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]pyridazin-3(2H)-one
CID 72842844
5-hydroxy-N-[1-(4-propyl-4H-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 91784015
1-[1-[5-(1-Fluoroethenyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-(methylideneamino)pyridin-2-one
CID 123467167
6-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
CID 71550466
6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
CID 71550467
6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one;hydrochloride
CID 89488478
6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one
CID 89488479
ethene;6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one
CID 145556960
7-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-[(E)-1-[3-methyl-5-(methylideneamino)-1,2,4-triazol-1-yl]prop-1-en-2-yl]pyrido[1,2-a]pyrimidin-4-one
CID 146602343
N-[N-[(Z)-1-(4-cyclopropyl-1,2,4-triazol-3-yl)prop-1-enyl]-C-methylcarbonimidoyl]-4-(4-ethyl-3-oxopiperazin-1-yl)-1-methyl-2H-pyridine-6-carboxamide
CID 166691026
4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
CID 168934704

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62671072) is 2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC(NCc1cc(=O)n2ccccc2n1)c1nncn1C.
What is the InChIKey of 2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OVDOITNRDNCFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-10(14-18-16-9-19(14)2)15-8-11-7-13(21)20-6-4-3-5-12(20)17-11/h3-7,9-10,15H,8H2,1-2H3.
What are the key properties of 2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 284.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62671072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).