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

C7H12N4O — CID 61037544

IUPACN-methyl-4-(1,2,4-triazol-1-yl)butanamide
SMILESCNC(=O)CCCn1cncn1
InChIInChI=1S/C7H12N4O/c1-8-7(12)3-2-4-11-6-9-5-10-11/h5-6H,2-4H2,1H3,(H,8,12)
InChIKeyXEHGBBNKXZQLOX-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.20
Rot. Bonds4

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

N-methyl-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 61037544) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-methyl-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID61037544
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-methyl-4-(1,2,4-triazol-1-yl)butanamide
SMILESCNC(=O)CCCn1cncn1
InChIInChI=1S/C7H12N4O/c1-8-7(12)3-2-4-11-6-9-5-10-11/h5-6H,2-4H2,1H3,(H,8,12)
InChIKeyXEHGBBNKXZQLOX-UHFFFAOYSA-N
XLogP-0.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828
N-(2-tert-butylsulfinylethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 167843334
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 87021120
(2S)-4-methyl-2-[4-(1,2,4-triazol-1-yl)butanoylamino]pentanamide
CID 131948202
N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine
CID 62449237
N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042127
N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 154565061
N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86829051
N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042635
N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822852
ethyl 2-oxo-5-(1,2,4-triazol-1-yl)pentanoate
CID 140993818

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-methyl-4-(1,2,4-triazol-1-yl)butanamide (CID 61037544) is N-methyl-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-methyl-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-methyl-4-(1,2,4-triazol-1-yl)butanamide is CNC(=O)CCCn1cncn1.
What is the InChIKey of N-methyl-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is XEHGBBNKXZQLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-8-7(12)3-2-4-11-6-9-5-10-11/h5-6H,2-4H2,1H3,(H,8,12).
What are the key properties of N-methyl-4-(1,2,4-triazol-1-yl)butanamide?
N-methyl-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 168.20 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 61037544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).