5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C17H16N6O — CID 135410503

IUPAC5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc[nH]2)n2ncnc2N1
InChIInChI=1S/C17H16N6O/c1-11-14(16(24)22-12-6-3-2-4-7-12)15(13-8-5-9-18-13)23-17(21-11)19-10-20-23/h2-10,15,18H,1H3,(H,22,24)(H,19,20,21)
InChIKeyPDMCFULAKFNLJK-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.53
Rot. Bonds3

About 5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135410503) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135410503
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc[nH]2)n2ncnc2N1
InChIInChI=1S/C17H16N6O/c1-11-14(16(24)22-12-6-3-2-4-7-12)15(13-8-5-9-18-13)23-17(21-11)19-10-20-23/h2-10,15,18H,1H3,(H,22,24)(H,19,20,21)
InChIKeyPDMCFULAKFNLJK-UHFFFAOYSA-N
XLogP2.53
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135410503) is 5-methyl-N-phenyl-7-(1H-pyrrol-2-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-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccc[nH]2)n2ncnc2N1.
What is the InChIKey of 5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is PDMCFULAKFNLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-11-14(16(24)22-12-6-3-2-4-7-12)15(13-8-5-9-18-13)23-17(21-11)19-10-20-23/h2-10,15,18H,1H3,(H,22,24)(H,19,20,21).
What are the key properties of 5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-7-(1H-pyrrol-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135410503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).