2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine

C11H14N4 — CID 65363066

IUPAC2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCc1cccc(CC(N)c2ncn[nH]2)c1
InChIInChI=1S/C11H14N4/c1-8-3-2-4-9(5-8)6-10(12)11-13-7-14-15-11/h2-5,7,10H,6,12H2,1H3,(H,13,14,15)
InChIKeyNDTHXTPIPLBKMZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.36
Rot. Bonds3

About 2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine

2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 65363066) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID65363066
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCc1cccc(CC(N)c2ncn[nH]2)c1
InChIInChI=1S/C11H14N4/c1-8-3-2-4-9(5-8)6-10(12)11-13-7-14-15-11/h2-5,7,10H,6,12H2,1H3,(H,13,14,15)
InChIKeyNDTHXTPIPLBKMZ-UHFFFAOYSA-N
XLogP1.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 65363066) is 2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is Cc1cccc(CC(N)c2ncn[nH]2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is NDTHXTPIPLBKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-3-2-4-9(5-8)6-10(12)11-13-7-14-15-11/h2-5,7,10H,6,12H2,1H3,(H,13,14,15).
What are the key properties of 2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 65363066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).