3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride

C5H10ClN3 — CID 54593423

IUPAC3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride
SMILESCCc1n[nH]c(C)n1.Cl
InChIInChI=1S/C5H9N3.ClH/c1-3-5-6-4(2)7-8-5;/h3H2,1-2H3,(H,6,7,8);1H
InChIKeyXKFNTSVSEQAMEF-UHFFFAOYSA-N
MW147.61 g/mol
LogP1.10
Rot. Bonds1

About 3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride

3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride (PubChem CID 54593423) has the molecular formula C5H10ClN3 and a molecular weight of 147.61 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride.

Molecular Properties

Compound Name3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride
PubChem CID54593423
Molecular FormulaC5H10ClN3
Molecular Weight147.61 g/mol
Exact Mass147.06
IUPAC Name3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride
SMILESCCc1n[nH]c(C)n1.Cl
InChIInChI=1S/C5H9N3.ClH/c1-3-5-6-4(2)7-8-5;/h3H2,1-2H3,(H,6,7,8);1H
InChIKeyXKFNTSVSEQAMEF-UHFFFAOYSA-N
XLogP1.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride?
The IUPAC name of 3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride (CID 54593423) is 3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride.
What is the SMILES notation for 3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride?
The canonical SMILES for 3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride is CCc1n[nH]c(C)n1.Cl.
What is the InChIKey of 3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride?
The InChIKey is XKFNTSVSEQAMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.ClH/c1-3-5-6-4(2)7-8-5;/h3H2,1-2H3,(H,6,7,8);1H.
What are the key properties of 3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride?
3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride has a molecular weight of 147.61 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1H-1,2,4-triazole;hydrochloride is sourced from PubChem (CID 54593423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).