5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C19H18N6O — CID 3239147

IUPAC5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2cccnc2)n2nc(-c3cccc(C)c3)nc2N1
InChIInChI=1S/C19H18N6O/c1-11-5-3-6-13(9-11)18-23-19-22-12(2)15(17(20)26)16(25(19)24-18)14-7-4-8-21-10-14/h3-10,16H,1-2H3,(H2,20,26)(H,22,23,24)
InChIKeySFDLCJVEEGBZRJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.42
Rot. Bonds3

About 5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3239147) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3239147
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2cccnc2)n2nc(-c3cccc(C)c3)nc2N1
InChIInChI=1S/C19H18N6O/c1-11-5-3-6-13(9-11)18-23-19-22-12(2)15(17(20)26)16(25(19)24-18)14-7-4-8-21-10-14/h3-10,16H,1-2H3,(H2,20,26)(H,22,23,24)
InChIKeySFDLCJVEEGBZRJ-UHFFFAOYSA-N
XLogP2.42
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 3239147) is 5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(N)=O)C(c2cccnc2)n2nc(-c3cccc(C)c3)nc2N1.
What is the InChIKey of 5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SFDLCJVEEGBZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-11-5-3-6-13(9-11)18-23-19-22-12(2)15(17(20)26)16(25(19)24-18)14-7-4-8-21-10-14/h3-10,16H,1-2H3,(H2,20,26)(H,22,23,24).
What are the key properties of 5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3239147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).