3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine

C12H16N4 — CID 82471672

IUPAC3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCc1nc(CCCN)nn1-c1ccccc1
InChIInChI=1S/C12H16N4/c1-10-14-12(8-5-9-13)15-16(10)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9,13H2,1H3
InChIKeyHUYPBKJPWHZOPQ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.47
Rot. Bonds4

About 3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine

3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 82471672) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID82471672
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCc1nc(CCCN)nn1-c1ccccc1
InChIInChI=1S/C12H16N4/c1-10-14-12(8-5-9-13)15-16(10)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9,13H2,1H3
InChIKeyHUYPBKJPWHZOPQ-UHFFFAOYSA-N
XLogP1.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine (CID 82471672) is 3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine is Cc1nc(CCCN)nn1-c1ccccc1.
What is the InChIKey of 3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is HUYPBKJPWHZOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10-14-12(8-5-9-13)15-16(10)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9,13H2,1H3.
What are the key properties of 3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 82471672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).