N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide

C15H16N10O — CID 46997037

IUPACN-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide
SMILESCC(C)n1ncc(NC(=O)Cn2cc(-c3ncnc4nc[nH]c34)cn2)n1
InChIInChI=1S/C15H16N10O/c1-9(2)25-21-4-11(23-25)22-12(26)6-24-5-10(3-20-24)13-14-15(18-7-16-13)19-8-17-14/h3-5,7-9H,6H2,1-2H3,(H,22,23,26)(H,16,17,18,19)
InChIKeyKWRYLIBMKVMQRJ-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.03
Rot. Bonds5

About N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide

N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide (PubChem CID 46997037) has the molecular formula C15H16N10O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide
PubChem CID46997037
Molecular FormulaC15H16N10O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide
SMILESCC(C)n1ncc(NC(=O)Cn2cc(-c3ncnc4nc[nH]c34)cn2)n1
InChIInChI=1S/C15H16N10O/c1-9(2)25-21-4-11(23-25)22-12(26)6-24-5-10(3-20-24)13-14-15(18-7-16-13)19-8-17-14/h3-5,7-9H,6H2,1-2H3,(H,22,23,26)(H,16,17,18,19)
InChIKeyKWRYLIBMKVMQRJ-UHFFFAOYSA-N
XLogP1.03
TPSA132.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide 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

2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide
CID 46991784
2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
CID 46982778
2-[4-(3-methoxypyrazin-2-yl)pyrazol-1-yl]-N-(2-propyltriazol-4-yl)acetamide
CID 30920795
(2S)-2-(7H-purin-6-ylcarbamoylamino)propanoic acid
CID 131853482
1-(3-chloropropyl)-3-(7H-purin-6-yl)urea
CID 71487244
1-(7H-purin-6-yl)propan-2-ol
CID 174759958
N-[4-(7H-purin-6-yl)phenyl]ethanesulfonamide
CID 172688411
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478
2-[4-[4-(2-amino-2-oxoethyl)sulfanylphenyl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
CID 29029168
2-(azepan-1-yl)-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]acetamide
CID 164905649
N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
[5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine
CID 96602690

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide (CID 46997037) is N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide is CC(C)n1ncc(NC(=O)Cn2cc(-c3ncnc4nc[nH]c34)cn2)n1.
What is the InChIKey of N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide?
The InChIKey is KWRYLIBMKVMQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N10O/c1-9(2)25-21-4-11(23-25)22-12(26)6-24-5-10(3-20-24)13-14-15(18-7-16-13)19-8-17-14/h3-5,7-9H,6H2,1-2H3,(H,22,23,26)(H,16,17,18,19).
What are the key properties of N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide?
N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide has a molecular weight of 352.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 46997037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).