3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide

C7H13N5O — CID 130993463

IUPAC3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide
SMILESCC(N)CC(=O)Nc1nncn1C
InChIInChI=1S/C7H13N5O/c1-5(8)3-6(13)10-7-11-9-4-12(7)2/h4-5H,3,8H2,1-2H3,(H,10,11,13)
InChIKeyXBCODGNOTSGGJJ-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.51
Rot. Bonds3

About 3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide

3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide (PubChem CID 130993463) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide
PubChem CID130993463
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide
SMILESCC(N)CC(=O)Nc1nncn1C
InChIInChI=1S/C7H13N5O/c1-5(8)3-6(13)10-7-11-9-4-12(7)2/h4-5H,3,8H2,1-2H3,(H,10,11,13)
InChIKeyXBCODGNOTSGGJJ-UHFFFAOYSA-N
XLogP-0.51
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 60837807
2-(3,5-dimethylphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide
CID 154865835
2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 130645081
3-methyl-N-(4-methyl-1,2,4-triazol-3-yl)but-2-enamide
CID 131084608
3-amino-N-pyridazin-3-ylbutanamide
CID 126973262
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid
CID 131007644
1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 86817328
2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide
CID 86793761
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
CID 82847987
2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 86796491

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide?
The IUPAC name of 3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide (CID 130993463) is 3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide.
What is the SMILES notation for 3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide?
The canonical SMILES for 3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide is CC(N)CC(=O)Nc1nncn1C.
What is the InChIKey of 3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide?
The InChIKey is XBCODGNOTSGGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-5(8)3-6(13)10-7-11-9-4-12(7)2/h4-5H,3,8H2,1-2H3,(H,10,11,13).
What are the key properties of 3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide?
3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide has a molecular weight of 183.22 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide is sourced from PubChem (CID 130993463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).