N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H13N5O — CID 2500883

IUPACN-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCc3ccccc3)nn12
InChIInChI=1S/C14H13N5O/c1-10-7-8-15-14-17-12(18-19(10)14)13(20)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,20)
InChIKeyRMJGHPWBFYSYGM-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.36
Rot. Bonds3

About N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2500883) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2500883
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCc3ccccc3)nn12
InChIInChI=1S/C14H13N5O/c1-10-7-8-15-14-17-12(18-19(10)14)13(20)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,20)
InChIKeyRMJGHPWBFYSYGM-UHFFFAOYSA-N
XLogP1.36
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Zaleplon
CID 5719
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975267
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
CU-CPT-8m
CID 15042086
Tyk2-IN-2
CID 129626433
Imidazo[1,2-a]pyrazin-8(5H)-one, 7-[(3,4-difluorophenyl)methyl]-6,7-dihydro-2-[5-methyl-2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl]-
CID 129116809
(6S)-7-[(3,4-difluorophenyl)methyl]-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129136448
N-cyclopropyl-6-((3,5-dimethylphenyl)amino)-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 145989684
5-[5-amino-7-(4-fluorophenyl)-2-[(5-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1H-pyridin-2-one
CID 156821390
N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743063
1,5-Dimethyl-2-phenyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrazol-3-one
CID 1315303

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2500883) is N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NCc3ccccc3)nn12.
What is the InChIKey of N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RMJGHPWBFYSYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-10-7-8-15-14-17-12(18-19(10)14)13(20)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,20).
What are the key properties of N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2500883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).