[4-(1-butyltetrazol-5-yl)phenyl]methanamine

C12H17N5 — CID 82228437

IUPAC[4-(1-butyltetrazol-5-yl)phenyl]methanamine
SMILESCCCCn1nnnc1-c1ccc(CN)cc1
InChIInChI=1S/C12H17N5/c1-2-3-8-17-12(14-15-16-17)11-6-4-10(9-13)5-7-11/h4-7H,2-3,8-9,13H2,1H3
InChIKeyOGWNLGZJIJMYAR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.60
Rot. Bonds5

About [4-(1-butyltetrazol-5-yl)phenyl]methanamine

[4-(1-butyltetrazol-5-yl)phenyl]methanamine (PubChem CID 82228437) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is [4-(1-butyltetrazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1-butyltetrazol-5-yl)phenyl]methanamine
PubChem CID82228437
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name[4-(1-butyltetrazol-5-yl)phenyl]methanamine
SMILESCCCCn1nnnc1-c1ccc(CN)cc1
InChIInChI=1S/C12H17N5/c1-2-3-8-17-12(14-15-16-17)11-6-4-10(9-13)5-7-11/h4-7H,2-3,8-9,13H2,1H3
InChIKeyOGWNLGZJIJMYAR-UHFFFAOYSA-N
XLogP1.60
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1-butyltetrazol-5-yl)phenyl]methanamine 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-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine
CID 82228458
3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine
CID 61374258
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
[4-(1-methyltetrazol-5-yl)phenyl]methanamine
CID 82228462
5-(1-butyltetrazol-5-yl)-2-methylaniline
CID 61351684
5-(1-butyltetrazol-5-yl)benzene-1,3-diamine
CID 61352271
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
CID 84758929
2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375782
3-(1-butyltetrazol-5-yl)-5-methylaniline
CID 113396325
4-[5-(4-ethylphenyl)tetrazol-1-yl]butanoic acid
CID 66044129
4-[5-(4-ethylsulfanylphenyl)tetrazol-1-yl]butan-1-amine
CID 106387360

Frequently Asked Questions

What is the IUPAC name of [4-(1-butyltetrazol-5-yl)phenyl]methanamine?
The IUPAC name of [4-(1-butyltetrazol-5-yl)phenyl]methanamine (CID 82228437) is [4-(1-butyltetrazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1-butyltetrazol-5-yl)phenyl]methanamine?
The canonical SMILES for [4-(1-butyltetrazol-5-yl)phenyl]methanamine is CCCCn1nnnc1-c1ccc(CN)cc1.
What is the InChIKey of [4-(1-butyltetrazol-5-yl)phenyl]methanamine?
The InChIKey is OGWNLGZJIJMYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-3-8-17-12(14-15-16-17)11-6-4-10(9-13)5-7-11/h4-7H,2-3,8-9,13H2,1H3.
What are the key properties of [4-(1-butyltetrazol-5-yl)phenyl]methanamine?
[4-(1-butyltetrazol-5-yl)phenyl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-butyltetrazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 82228437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).