3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide

C11H14N6O — CID 61260719

IUPAC3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H14N6O/c1-8(12)6-11(18)14-9-2-4-10(5-3-9)17-7-13-15-16-17/h2-5,7-8H,6,12H2,1H3,(H,14,18)
InChIKeyHKMIGHIPRIMSQW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.34
Rot. Bonds4

About 3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide

3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide (PubChem CID 61260719) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
PubChem CID61260719
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H14N6O/c1-8(12)6-11(18)14-9-2-4-10(5-3-9)17-7-13-15-16-17/h2-5,7-8H,6,12H2,1H3,(H,14,18)
InChIKeyHKMIGHIPRIMSQW-UHFFFAOYSA-N
XLogP0.34
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
CID 62964862
(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61259268
(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 79022947
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
N-(4-propan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709032
5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
CID 114014593
2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 62854275
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535814
2-(cyclopropylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61260899

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The IUPAC name of 3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide (CID 61260719) is 3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide is CC(N)CC(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The InChIKey is HKMIGHIPRIMSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-8(12)6-11(18)14-9-2-4-10(5-3-9)17-7-13-15-16-17/h2-5,7-8H,6,12H2,1H3,(H,14,18).
What are the key properties of 3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide?
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide has a molecular weight of 246.27 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 61260719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).