3-(3-benzyltriazol-4-yl)propan-1-amine

C12H16N4 — CID 84681932

IUPAC3-(3-benzyltriazol-4-yl)propan-1-amine
SMILESNCCCc1cnnn1Cc1ccccc1
InChIInChI=1S/C12H16N4/c13-8-4-7-12-9-14-15-16(12)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,13H2
InChIKeyFPBIILPGBVBMMT-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.22
Rot. Bonds5

About 3-(3-benzyltriazol-4-yl)propan-1-amine

3-(3-benzyltriazol-4-yl)propan-1-amine (PubChem CID 84681932) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-(3-benzyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-benzyltriazol-4-yl)propan-1-amine
PubChem CID84681932
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-(3-benzyltriazol-4-yl)propan-1-amine
SMILESNCCCc1cnnn1Cc1ccccc1
InChIInChI=1S/C12H16N4/c13-8-4-7-12-9-14-15-16(12)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,13H2
InChIKeyFPBIILPGBVBMMT-UHFFFAOYSA-N
XLogP1.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyltriazol-4-yl)propan-1-amine?
The IUPAC name of 3-(3-benzyltriazol-4-yl)propan-1-amine (CID 84681932) is 3-(3-benzyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(3-benzyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(3-benzyltriazol-4-yl)propan-1-amine is NCCCc1cnnn1Cc1ccccc1.
What is the InChIKey of 3-(3-benzyltriazol-4-yl)propan-1-amine?
The InChIKey is FPBIILPGBVBMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-8-4-7-12-9-14-15-16(12)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,13H2.
What are the key properties of 3-(3-benzyltriazol-4-yl)propan-1-amine?
3-(3-benzyltriazol-4-yl)propan-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 84681932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).