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

C11H14N4 — CID 117291048

IUPAC2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
SMILESCC(C)(N)c1cccc(-n2cncn2)c1
InChIInChI=1S/C11H14N4/c1-11(2,12)9-4-3-5-10(6-9)15-8-13-7-14-15/h3-8H,12H2,1-2H3
InChIKeyUCHLUQCKNHDXIG-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.46
Rot. Bonds2

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

2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine (PubChem CID 117291048) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
PubChem CID117291048
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
SMILESCC(C)(N)c1cccc(-n2cncn2)c1
InChIInChI=1S/C11H14N4/c1-11(2,12)9-4-3-5-10(6-9)15-8-13-7-14-15/h3-8H,12H2,1-2H3
InChIKeyUCHLUQCKNHDXIG-UHFFFAOYSA-N
XLogP1.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
3-(1,2,4-triazol-1-yl)benzenethiol
CID 23324544
3-(1,2,4-triazol-1-yl)phenol
CID 54592961
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
silver 3-(1,2,4-triazol-1-yl)benzenethiol
CID 23324543
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119630093
2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
CID 117291049
1-(3-imidazol-1-ylphenyl)-1,2,4-triazole
CID 132570303
N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119524675
1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine
CID 117329120
methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate
CID 117337585
acetylene;1-phenyl-1,2,4-triazole;propane
CID 142158899

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine?
The IUPAC name of 2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine (CID 117291048) is 2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine is CC(C)(N)c1cccc(-n2cncn2)c1.
What is the InChIKey of 2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine?
The InChIKey is UCHLUQCKNHDXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-11(2,12)9-4-3-5-10(6-9)15-8-13-7-14-15/h3-8H,12H2,1-2H3.
What are the key properties of 2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine?
2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine has a molecular weight of 202.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 117291048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).