1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine

C12H16N4 — CID 117167503

IUPAC1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine
SMILESCc1ccccc1-n1cc(CC(C)N)nn1
InChIInChI=1S/C12H16N4/c1-9-5-3-4-6-12(9)16-8-11(14-15-16)7-10(2)13/h3-6,8,10H,7,13H2,1-2H3
InChIKeyXAPUBAYINQRYRA-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.47
Rot. Bonds3

About 1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine

1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine (PubChem CID 117167503) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine
PubChem CID117167503
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine
SMILESCc1ccccc1-n1cc(CC(C)N)nn1
InChIInChI=1S/C12H16N4/c1-9-5-3-4-6-12(9)16-8-11(14-15-16)7-10(2)13/h3-6,8,10H,7,13H2,1-2H3
InChIKeyXAPUBAYINQRYRA-UHFFFAOYSA-N
XLogP1.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

4-(bromomethyl)-1-(2-methylphenyl)triazole
CID 62401939
1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol
CID 139020849
2-amino-3-[1-(2,3-dimethylphenyl)triazol-4-yl]propanoic acid
CID 116734767
1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol
CID 117167437
2,2-dimethyl-3-[1-(2-methylphenyl)triazol-4-yl]propanoic acid
CID 117167549
2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol
CID 163509573
4-(chloromethyl)-1-(2-chloro-3-methylphenyl)triazole
CID 130495737
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 117167498
1-[1-(2,3-dimethylphenyl)triazol-4-yl]ethanamine
CID 114419243
[1-(2-propan-2-ylphenyl)triazol-4-yl]methanol
CID 62400894
2-[2-[2-[1-(2-methylphenyl)triazol-4-yl]ethyl]-1,3-dioxolan-2-yl]ethanol
CID 155962583

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine (CID 117167503) is 1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine is Cc1ccccc1-n1cc(CC(C)N)nn1.
What is the InChIKey of 1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine?
The InChIKey is XAPUBAYINQRYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-5-3-4-6-12(9)16-8-11(14-15-16)7-10(2)13/h3-6,8,10H,7,13H2,1-2H3.
What are the key properties of 1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine?
1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine has a molecular weight of 216.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine is sourced from PubChem (CID 117167503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).