N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide

C8H12N4O — CID 53015136

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide
SMILESCc1nc(NC(=O)C2CCC2)n[nH]1
InChIInChI=1S/C8H12N4O/c1-5-9-8(12-11-5)10-7(13)6-3-2-4-6/h6H,2-4H2,1H3,(H2,9,10,11,12,13)
InChIKeyGSBZXMOYQJVULM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.85
Rot. Bonds2

About N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide

N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide (PubChem CID 53015136) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide
PubChem CID53015136
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide
SMILESCc1nc(NC(=O)C2CCC2)n[nH]1
InChIInChI=1S/C8H12N4O/c1-5-9-8(12-11-5)10-7(13)6-3-2-4-6/h6H,2-4H2,1H3,(H2,9,10,11,12,13)
InChIKeyGSBZXMOYQJVULM-UHFFFAOYSA-N
XLogP0.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide (CID 53015136) is N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide is Cc1nc(NC(=O)C2CCC2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide?
The InChIKey is GSBZXMOYQJVULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5-9-8(12-11-5)10-7(13)6-3-2-4-6/h6H,2-4H2,1H3,(H2,9,10,11,12,13).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutanecarboxamide is sourced from PubChem (CID 53015136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).