5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C18H16N6O — CID 2791001

IUPAC5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)n2ncnc2N1
InChIInChI=1S/C18H16N6O/c1-12-15(17(25)23-14-7-3-2-4-8-14)16(13-6-5-9-19-10-13)24-18(22-12)20-11-21-24/h2-11,16H,1H3,(H,23,25)(H,20,21,22)
InChIKeyHWBCZYZSSUTNHZ-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.60
Rot. Bonds3

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

5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2791001) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2791001
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)n2ncnc2N1
InChIInChI=1S/C18H16N6O/c1-12-15(17(25)23-14-7-3-2-4-8-14)16(13-6-5-9-19-10-13)24-18(22-12)20-11-21-24/h2-11,16H,1H3,(H,23,25)(H,20,21,22)
InChIKeyHWBCZYZSSUTNHZ-UHFFFAOYSA-N
XLogP2.60
TPSA84.73 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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 2791001) is 5-methyl-N-phenyl-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-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)n2ncnc2N1.
What is the InChIKey of 5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HWBCZYZSSUTNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-15(17(25)23-14-7-3-2-4-8-14)16(13-6-5-9-19-10-13)24-18(22-12)20-11-21-24/h2-11,16H,1H3,(H,23,25)(H,20,21,22).
What are the key properties of 5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-N-phenyl-7-pyridin-3-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 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2791001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).