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

C12H16N4 — CID 81071078

IUPAC2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(CN)Cc1nncn1-c1ccccc1
InChIInChI=1S/C12H16N4/c1-10(8-13)7-12-15-14-9-16(12)11-5-3-2-4-6-11/h2-6,9-10H,7-8,13H2,1H3
InChIKeyWPFIWOWVAAQNLF-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.40
Rot. Bonds4

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

2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 81071078) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID81071078
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(CN)Cc1nncn1-c1ccccc1
InChIInChI=1S/C12H16N4/c1-10(8-13)7-12-15-14-9-16(12)11-5-3-2-4-6-11/h2-6,9-10H,7-8,13H2,1H3
InChIKeyWPFIWOWVAAQNLF-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine (CID 81071078) is 2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine is CC(CN)Cc1nncn1-c1ccccc1.
What is the InChIKey of 2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is WPFIWOWVAAQNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10(8-13)7-12-15-14-9-16(12)11-5-3-2-4-6-11/h2-6,9-10H,7-8,13H2,1H3.
What are the key properties of 2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 81071078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).