4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine

C11H14ClN5 — CID 114182232

IUPAC4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1-c1cccc(Cl)c1
InChIInChI=1S/C11H14ClN5/c12-10-5-3-4-9(8-10)11-14-15-16-17(11)7-2-1-6-13/h3-5,8H,1-2,6-7,13H2
InChIKeyJKTYMSBPCTZOLR-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.73
Rot. Bonds5

About 4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine

4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine (PubChem CID 114182232) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
PubChem CID114182232
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1-c1cccc(Cl)c1
InChIInChI=1S/C11H14ClN5/c12-10-5-3-4-9(8-10)11-14-15-16-17(11)7-2-1-6-13/h3-5,8H,1-2,6-7,13H2
InChIKeyJKTYMSBPCTZOLR-UHFFFAOYSA-N
XLogP1.73
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine 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-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
CID 61373336
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 106387254
4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182235
4-[5-[(3-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387282
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
4-[5-(4-ethylsulfanylphenyl)tetrazol-1-yl]butan-1-amine
CID 106387360
4-[5-(3,5-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84759011
3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine
CID 62500562
4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 114182237
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine (CID 114182232) is 4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine is NCCCCn1nnnc1-c1cccc(Cl)c1.
What is the InChIKey of 4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine?
The InChIKey is JKTYMSBPCTZOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c12-10-5-3-4-9(8-10)11-14-15-16-17(11)7-2-1-6-13/h3-5,8H,1-2,6-7,13H2.
What are the key properties of 4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine?
4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine has a molecular weight of 251.72 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 114182232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).