3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine

C12H17N5 — CID 82228413

IUPAC3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine
SMILESCC(c1ccccc1)n1nnnc1CCCN
InChIInChI=1S/C12H17N5/c1-10(11-6-3-2-4-7-11)17-12(8-5-9-13)14-15-16-17/h2-4,6-7,10H,5,8-9,13H2,1H3
InChIKeyGWLXJCHYGJGOEC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.17
Rot. Bonds5

About 3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine

3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine (PubChem CID 82228413) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine
PubChem CID82228413
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine
SMILESCC(c1ccccc1)n1nnnc1CCCN
InChIInChI=1S/C12H17N5/c1-10(11-6-3-2-4-7-11)17-12(8-5-9-13)14-15-16-17/h2-4,6-7,10H,5,8-9,13H2,1H3
InChIKeyGWLXJCHYGJGOEC-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine
CID 62761163
2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine
CID 82206303
2-methyl-4-[1-(1-phenylethyl)tetrazol-5-yl]aniline
CID 61354476
[1-(2-phenylpropyl)tetrazol-5-yl]methanamine
CID 104592309
N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388
2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethanamine
CID 95223429
[5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid
CID 170795389
3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine
CID 82228118
[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82206282
3-(1-naphthalen-1-yltetrazol-5-yl)propan-1-amine
CID 82228115
3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol
CID 82206301

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine?
The IUPAC name of 3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine (CID 82228413) is 3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine is CC(c1ccccc1)n1nnnc1CCCN.
What is the InChIKey of 3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine?
The InChIKey is GWLXJCHYGJGOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-10(11-6-3-2-4-7-11)17-12(8-5-9-13)14-15-16-17/h2-4,6-7,10H,5,8-9,13H2,1H3.
What are the key properties of 3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine?
3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine is sourced from PubChem (CID 82228413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).