(2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide

C13H15N7O — CID 164638527

IUPAC(2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)Nc1nnc2nc(C)ccn12)n1cccn1
InChIInChI=1S/C13H15N7O/c1-3-10(20-7-4-6-14-20)11(21)16-13-18-17-12-15-9(2)5-8-19(12)13/h4-8,10H,3H2,1-2H3,(H,16,18,21)
InChIKeyUJYQBJWMFAGYRM-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.22
Rot. Bonds4

About (2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide

(2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide (PubChem CID 164638527) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is (2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide
PubChem CID164638527
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name(2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)Nc1nnc2nc(C)ccn12)n1cccn1
InChIInChI=1S/C13H15N7O/c1-3-10(20-7-4-6-14-20)11(21)16-13-18-17-12-15-9(2)5-8-19(12)13/h4-8,10H,3H2,1-2H3,(H,16,18,21)
InChIKeyUJYQBJWMFAGYRM-UHFFFAOYSA-N
XLogP1.22
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide 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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2397006
n-(2-(1h-Pyrazol-1-yl)ethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53532814
N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 56780136
N-{[4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]methyl}-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56905162
5-methyl-N-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56914140
7-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8891832
N-{7-Methyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}acetamide
CID 23607348
N-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-2-(1H-pyrrol-1-yl)acetamide
CID 71805370
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 91923174
N-(1-isopropyl-1H-1,2,3-triazol-4-yl)-2-{4-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazol-1-yl}acetamide
CID 30882173
N-(1,3-dimethyl-1H-pyrazol-5-yl)-2-{4-[4-(methylamino)pyrimidin-2-yl]-1H-pyrazol-1-yl}acetamide
CID 46990046
1-[(7-Methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea
CID 71908250

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide (CID 164638527) is (2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide is CCC(C(=O)Nc1nnc2nc(C)ccn12)n1cccn1.
What is the InChIKey of (2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide?
The InChIKey is UJYQBJWMFAGYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-3-10(20-7-4-6-14-20)11(21)16-13-18-17-12-15-9(2)5-8-19(12)13/h4-8,10H,3H2,1-2H3,(H,16,18,21).
What are the key properties of (2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide?
(2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide has a molecular weight of 285.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 164638527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).