N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine

C10H11ClN4 — CID 75202661

IUPACN-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine
SMILESCCc1cc(Nc2cn[nH]n2)ccc1Cl
InChIInChI=1S/C10H11ClN4/c1-2-7-5-8(3-4-9(7)11)13-10-6-12-15-14-10/h3-6H,2H2,1H3,(H2,12,13,14,15)
InChIKeyTYTBURQNAQDBPH-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.76
Rot. Bonds3

About N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine

N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine (PubChem CID 75202661) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine
PubChem CID75202661
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC NameN-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine
SMILESCCc1cc(Nc2cn[nH]n2)ccc1Cl
InChIInChI=1S/C10H11ClN4/c1-2-7-5-8(3-4-9(7)11)13-10-6-12-15-14-10/h3-6H,2H2,1H3,(H2,12,13,14,15)
InChIKeyTYTBURQNAQDBPH-UHFFFAOYSA-N
XLogP2.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine?
The IUPAC name of N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine (CID 75202661) is N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine.
What is the SMILES notation for N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine?
The canonical SMILES for N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine is CCc1cc(Nc2cn[nH]n2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine?
The InChIKey is TYTBURQNAQDBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-2-7-5-8(3-4-9(7)11)13-10-6-12-15-14-10/h3-6H,2H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine?
N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine has a molecular weight of 222.68 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-ethylphenyl)-2H-triazol-4-amine is sourced from PubChem (CID 75202661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).