N-(1-methyltriazol-4-yl)butanamide

C7H12N4O — CID 130694162

IUPACN-(1-methyltriazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cn(C)nn1
InChIInChI=1S/C7H12N4O/c1-3-4-7(12)8-6-5-11(2)10-9-6/h5H,3-4H2,1-2H3,(H,8,12)
InChIKeyLCXAWWICHFQCSD-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.55
Rot. Bonds3

About N-(1-methyltriazol-4-yl)butanamide

N-(1-methyltriazol-4-yl)butanamide (PubChem CID 130694162) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(1-methyltriazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(1-methyltriazol-4-yl)butanamide
PubChem CID130694162
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-(1-methyltriazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cn(C)nn1
InChIInChI=1S/C7H12N4O/c1-3-4-7(12)8-6-5-11(2)10-9-6/h5H,3-4H2,1-2H3,(H,8,12)
InChIKeyLCXAWWICHFQCSD-UHFFFAOYSA-N
XLogP0.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyltriazol-4-yl)-3-piperidin-1-ylpropanamide
CID 112535356
2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide
CID 112535381
2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide
CID 112535389
N-(1-methyltriazol-4-yl)-2-pyridin-3-ylacetamide
CID 112535349
N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide
CID 130649624
1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea
CID 72935395
3-chloro-N-(1-methyltriazol-4-yl)benzamide
CID 112535369
2-methoxy-N-(1-methyltriazol-4-yl)benzamide
CID 112535372
1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
CID 72905357
2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide
CID 46993505
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(6-fluoro-2-methylindazol-5-yl)butanamide
CID 177040460

Frequently Asked Questions

What is the IUPAC name of N-(1-methyltriazol-4-yl)butanamide?
The IUPAC name of N-(1-methyltriazol-4-yl)butanamide (CID 130694162) is N-(1-methyltriazol-4-yl)butanamide.
What is the SMILES notation for N-(1-methyltriazol-4-yl)butanamide?
The canonical SMILES for N-(1-methyltriazol-4-yl)butanamide is CCCC(=O)Nc1cn(C)nn1.
What is the InChIKey of N-(1-methyltriazol-4-yl)butanamide?
The InChIKey is LCXAWWICHFQCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-4-7(12)8-6-5-11(2)10-9-6/h5H,3-4H2,1-2H3,(H,8,12).
What are the key properties of N-(1-methyltriazol-4-yl)butanamide?
N-(1-methyltriazol-4-yl)butanamide has a molecular weight of 168.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltriazol-4-yl)butanamide is sourced from PubChem (CID 130694162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).