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

C10H12BrN5 — CID 61373336

IUPAC3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
SMILESNCCCn1nnnc1-c1cccc(Br)c1
InChIInChI=1S/C10H12BrN5/c11-9-4-1-3-8(7-9)10-13-14-15-16(10)6-2-5-12/h1,3-4,7H,2,5-6,12H2
InChIKeyOWAQZKULSJLCFB-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.45
Rot. Bonds4

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

3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine (PubChem CID 61373336) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
PubChem CID61373336
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
SMILESNCCCn1nnnc1-c1cccc(Br)c1
InChIInChI=1S/C10H12BrN5/c11-9-4-1-3-8(7-9)10-13-14-15-16(10)6-2-5-12/h1,3-4,7H,2,5-6,12H2
InChIKeyOWAQZKULSJLCFB-UHFFFAOYSA-N
XLogP1.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine (CID 61373336) is 3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine is NCCCn1nnnc1-c1cccc(Br)c1.
What is the InChIKey of 3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine?
The InChIKey is OWAQZKULSJLCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c11-9-4-1-3-8(7-9)10-13-14-15-16(10)6-2-5-12/h1,3-4,7H,2,5-6,12H2.
What are the key properties of 3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine?
3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine has a molecular weight of 282.14 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 61373336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).