5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C18H16N6O — CID 3242639

IUPAC5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2ccccc2)n2nc(-c3ccncc3)nc2N1
InChIInChI=1S/C18H16N6O/c1-11-14(16(19)25)15(12-5-3-2-4-6-12)24-18(21-11)22-17(23-24)13-7-9-20-10-8-13/h2-10,15H,1H3,(H2,19,25)(H,21,22,23)
InChIKeyRNDJISJXHPCBMO-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.11
Rot. Bonds3

About 5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3242639) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3242639
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2ccccc2)n2nc(-c3ccncc3)nc2N1
InChIInChI=1S/C18H16N6O/c1-11-14(16(19)25)15(12-5-3-2-4-6-12)24-18(21-11)22-17(23-24)13-7-9-20-10-8-13/h2-10,15H,1H3,(H2,19,25)(H,21,22,23)
InChIKeyRNDJISJXHPCBMO-UHFFFAOYSA-N
XLogP2.11
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 3242639) is 5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(N)=O)C(c2ccccc2)n2nc(-c3ccncc3)nc2N1.
What is the InChIKey of 5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RNDJISJXHPCBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-11-14(16(19)25)15(12-5-3-2-4-6-12)24-18(21-11)22-17(23-24)13-7-9-20-10-8-13/h2-10,15H,1H3,(H2,19,25)(H,21,22,23).
What are the key properties of 5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3242639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).