N-(2-ethylphenyl)-2H-triazol-4-amine

C10H12N4 — CID 127042503

IUPACN-(2-ethylphenyl)-2H-triazol-4-amine
SMILESCCc1ccccc1Nc1cn[nH]n1
InChIInChI=1S/C10H12N4/c1-2-8-5-3-4-6-9(8)12-10-7-11-14-13-10/h3-7H,2H2,1H3,(H2,11,12,13,14)
InChIKeyKOSGHVJDDDPIAI-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.11
Rot. Bonds3

About N-(2-ethylphenyl)-2H-triazol-4-amine

N-(2-ethylphenyl)-2H-triazol-4-amine (PubChem CID 127042503) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2H-triazol-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2H-triazol-4-amine
PubChem CID127042503
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN-(2-ethylphenyl)-2H-triazol-4-amine
SMILESCCc1ccccc1Nc1cn[nH]n1
InChIInChI=1S/C10H12N4/c1-2-8-5-3-4-6-9(8)12-10-7-11-14-13-10/h3-7H,2H2,1H3,(H2,11,12,13,14)
InChIKeyKOSGHVJDDDPIAI-UHFFFAOYSA-N
XLogP2.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2H-triazol-4-amine?
The IUPAC name of N-(2-ethylphenyl)-2H-triazol-4-amine (CID 127042503) is N-(2-ethylphenyl)-2H-triazol-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-2H-triazol-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-2H-triazol-4-amine is CCc1ccccc1Nc1cn[nH]n1.
What is the InChIKey of N-(2-ethylphenyl)-2H-triazol-4-amine?
The InChIKey is KOSGHVJDDDPIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-8-5-3-4-6-9(8)12-10-7-11-14-13-10/h3-7H,2H2,1H3,(H2,11,12,13,14).
What are the key properties of N-(2-ethylphenyl)-2H-triazol-4-amine?
N-(2-ethylphenyl)-2H-triazol-4-amine has a molecular weight of 188.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2H-triazol-4-amine is sourced from PubChem (CID 127042503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).