[4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine

C11H14N4 — CID 62268419

IUPAC[4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine
SMILESCC(c1ccc(CN)cc1)n1cnnc1
InChIInChI=1S/C11H14N4/c1-9(15-7-13-14-8-15)11-4-2-10(6-12)3-5-11/h2-5,7-9H,6,12H2,1H3
InChIKeyCFKFGFCISJGJPA-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.35
Rot. Bonds3

About [4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine

[4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine (PubChem CID 62268419) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is [4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine
PubChem CID62268419
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name[4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine
SMILESCC(c1ccc(CN)cc1)n1cnnc1
InChIInChI=1S/C11H14N4/c1-9(15-7-13-14-8-15)11-4-2-10(6-12)3-5-11/h2-5,7-9H,6,12H2,1H3
InChIKeyCFKFGFCISJGJPA-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine?
The IUPAC name of [4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine (CID 62268419) is [4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine.
What is the SMILES notation for [4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine?
The canonical SMILES for [4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine is CC(c1ccc(CN)cc1)n1cnnc1.
What is the InChIKey of [4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine?
The InChIKey is CFKFGFCISJGJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9(15-7-13-14-8-15)11-4-2-10(6-12)3-5-11/h2-5,7-9H,6,12H2,1H3.
What are the key properties of [4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine?
[4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine is sourced from PubChem (CID 62268419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).