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

C7H10N4O — CID 53015132

IUPACN-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide
SMILESO=C(Nc1ncn[nH]1)C1CCC1
InChIInChI=1S/C7H10N4O/c12-6(5-2-1-3-5)10-7-8-4-9-11-7/h4-5H,1-3H2,(H2,8,9,10,11,12)
InChIKeyNLIAPISAWWYRHL-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.54
Rot. Bonds2

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

N-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide (PubChem CID 53015132) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide
PubChem CID53015132
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC NameN-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide
SMILESO=C(Nc1ncn[nH]1)C1CCC1
InChIInChI=1S/C7H10N4O/c12-6(5-2-1-3-5)10-7-8-4-9-11-7/h4-5H,1-3H2,(H2,8,9,10,11,12)
InChIKeyNLIAPISAWWYRHL-UHFFFAOYSA-N
XLogP0.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 704227
3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 803937
N-(4H-1,2,4-Triazol-3-YL)pentanamide
CID 19171439
3-cyclopentyl-N-4H-1,2,4-triazol-3-ylpropanamide
CID 2199980
N-(4H-1,2,4-triazol-3-yl)cyclopropanecarboxamide
CID 53015133
2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 4065409
1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide
CID 130616396
3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 131153934
3,3-difluoro-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide
CID 132286801
1,2,4-Triazole, 5-cyclohexanecarboxamido-
CID 557844
N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide
CID 60660009
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide (CID 53015132) is N-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide is O=C(Nc1ncn[nH]1)C1CCC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide?
The InChIKey is NLIAPISAWWYRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c12-6(5-2-1-3-5)10-7-8-4-9-11-7/h4-5H,1-3H2,(H2,8,9,10,11,12).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide?
N-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide has a molecular weight of 166.18 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)cyclobutanecarboxamide is sourced from PubChem (CID 53015132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).