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

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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).