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

C12H17ClN6O — CID 119287688

IUPAC4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCCN)cc1-n1cnnn1.Cl
InChIInChI=1S/C12H16N6O.ClH/c1-9-4-5-10(15-12(19)3-2-6-13)7-11(9)18-8-14-16-17-18;/h4-5,7-8H,2-3,6,13H2,1H3,(H,15,19);1H
InChIKeyUBONNEVTDWNKQO-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.07
Rot. Bonds5

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

4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride (PubChem CID 119287688) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride
PubChem CID119287688
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCCN)cc1-n1cnnn1.Cl
InChIInChI=1S/C12H16N6O.ClH/c1-9-4-5-10(15-12(19)3-2-6-13)7-11(9)18-8-14-16-17-18;/h4-5,7-8H,2-3,6,13H2,1H3,(H,15,19);1H
InChIKeyUBONNEVTDWNKQO-UHFFFAOYSA-N
XLogP1.07
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride 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-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 60866697
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120
3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 39224251
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
(2S)-2-amino-4-methylsulfanyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide
CID 61154272

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride (CID 119287688) is 4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride is Cc1ccc(NC(=O)CCCN)cc1-n1cnnn1.Cl.
What is the InChIKey of 4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride?
The InChIKey is UBONNEVTDWNKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O.ClH/c1-9-4-5-10(15-12(19)3-2-6-13)7-11(9)18-8-14-16-17-18;/h4-5,7-8H,2-3,6,13H2,1H3,(H,15,19);1H.
What are the key properties of 4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride?
4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride has a molecular weight of 296.76 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119287688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).