3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine

C11H15N5 — CID 61375593

IUPAC3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
SMILESCc1ccc(-c2nnnn2CCCN)cc1
InChIInChI=1S/C11H15N5/c1-9-3-5-10(6-4-9)11-13-14-15-16(11)8-2-7-12/h3-6H,2,7-8,12H2,1H3
InChIKeyQIENLYCUUJXVIW-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.00
Rot. Bonds4

About 3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine

3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine (PubChem CID 61375593) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
PubChem CID61375593
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
SMILESCc1ccc(-c2nnnn2CCCN)cc1
InChIInChI=1S/C11H15N5/c1-9-3-5-10(6-4-9)11-13-14-15-16(11)8-2-7-12/h3-6H,2,7-8,12H2,1H3
InChIKeyQIENLYCUUJXVIW-UHFFFAOYSA-N
XLogP1.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine (CID 61375593) is 3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine is Cc1ccc(-c2nnnn2CCCN)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine?
The InChIKey is QIENLYCUUJXVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-3-5-10(6-4-9)11-13-14-15-16(11)8-2-7-12/h3-6H,2,7-8,12H2,1H3.
What are the key properties of 3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine?
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine has a molecular weight of 217.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 61375593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).