4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine

C12H16ClN5 — CID 114182253

IUPAC4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1Cc1ccccc1Cl
InChIInChI=1S/C12H16ClN5/c13-11-6-2-1-5-10(11)9-12-15-16-17-18(12)8-4-3-7-14/h1-2,5-6H,3-4,7-9,14H2
InChIKeyYTORTGYPMGNDDW-UHFFFAOYSA-N
MW265.75 g/mol
LogP1.66
Rot. Bonds6

About 4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine

4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine (PubChem CID 114182253) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
PubChem CID114182253
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1Cc1ccccc1Cl
InChIInChI=1S/C12H16ClN5/c13-11-6-2-1-5-10(11)9-12-15-16-17-18(12)8-4-3-7-14/h1-2,5-6H,3-4,7-9,14H2
InChIKeyYTORTGYPMGNDDW-UHFFFAOYSA-N
XLogP1.66
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-[(2-chlorophenyl)methyl]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

4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 84758975
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]-2-methylbutanoic acid
CID 80541593
[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine
CID 62736131
4-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387362
4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine
CID 114182228
2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine
CID 84758899
3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759507
4-[5-[(3-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387282
4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182235
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
CID 66047470
4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182255
8-chloro-1-[3-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]propyl]-3-propyl-7H-purine-2,6-dione
CID 59395816

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine (CID 114182253) is 4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine is NCCCCn1nnnc1Cc1ccccc1Cl.
What is the InChIKey of 4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine?
The InChIKey is YTORTGYPMGNDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c13-11-6-2-1-5-10(11)9-12-15-16-17-18(12)8-4-3-7-14/h1-2,5-6H,3-4,7-9,14H2.
What are the key properties of 4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine?
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine has a molecular weight of 265.75 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 114182253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).