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

C10H12N4 — CID 4962205

IUPAC1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C10H12N4/c1-8(11)9-2-4-10(5-3-9)14-7-12-6-13-14/h2-8H,11H2,1H3
InChIKeyLWCNLFHKRQJWOW-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.29
Rot. Bonds2

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

1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine (PubChem CID 4962205) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
PubChem CID4962205
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C10H12N4/c1-8(11)9-2-4-10(5-3-9)14-7-12-6-13-14/h2-8H,11H2,1H3
InChIKeyLWCNLFHKRQJWOW-UHFFFAOYSA-N
XLogP1.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine (CID 4962205) is 1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine is CC(N)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
The InChIKey is LWCNLFHKRQJWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8(11)9-2-4-10(5-3-9)14-7-12-6-13-14/h2-8H,11H2,1H3.
What are the key properties of 1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine has a molecular weight of 188.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 4962205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).