N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

C19H17N5O — CID 2920972

IUPACN-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCC1=CC(c2ccccc2)n2nc(NC(=O)c3ccccc3)nc2N1
InChIInChI=1S/C19H17N5O/c1-13-12-16(14-8-4-2-5-9-14)24-19(20-13)22-18(23-24)21-17(25)15-10-6-3-7-11-15/h2-12,16H,1H3,(H2,20,21,22,23,25)
InChIKeyKFEBYWRIZAWKMJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.45
Rot. Bonds3

About N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 2920972) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID2920972
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCC1=CC(c2ccccc2)n2nc(NC(=O)c3ccccc3)nc2N1
InChIInChI=1S/C19H17N5O/c1-13-12-16(14-8-4-2-5-9-14)24-19(20-13)22-18(23-24)21-17(25)15-10-6-3-7-11-15/h2-12,16H,1H3,(H2,20,21,22,23,25)
InChIKeyKFEBYWRIZAWKMJ-UHFFFAOYSA-N
XLogP3.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 2920972) is N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is CC1=CC(c2ccccc2)n2nc(NC(=O)c3ccccc3)nc2N1.
What is the InChIKey of N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is KFEBYWRIZAWKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-12-16(14-8-4-2-5-9-14)24-19(20-13)22-18(23-24)21-17(25)15-10-6-3-7-11-15/h2-12,16H,1H3,(H2,20,21,22,23,25).
What are the key properties of N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 331.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 2920972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).