3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride

C7H11Cl2N3 — CID 170918642

IUPAC3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride
SMILESCC(Cl)c1n[nH]c(C2CC2)n1.Cl
InChIInChI=1S/C7H10ClN3.ClH/c1-4(8)6-9-7(11-10-6)5-2-3-5;/h4-5H,2-3H2,1H3,(H,9,10,11);1H
InChIKeyNWIZPYADOZMORF-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.40
Rot. Bonds2

About 3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride

3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride (PubChem CID 170918642) has the molecular formula C7H11Cl2N3 and a molecular weight of 208.09 g/mol. Its IUPAC name is 3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride.

Molecular Properties

Compound Name3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride
PubChem CID170918642
Molecular FormulaC7H11Cl2N3
Molecular Weight208.09 g/mol
Exact Mass207.03
IUPAC Name3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride
SMILESCC(Cl)c1n[nH]c(C2CC2)n1.Cl
InChIInChI=1S/C7H10ClN3.ClH/c1-4(8)6-9-7(11-10-6)5-2-3-5;/h4-5H,2-3H2,1H3,(H,9,10,11);1H
InChIKeyNWIZPYADOZMORF-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole
CID 61337311
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62637249
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol
CID 66263854
(1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 163409809
5-cyclohexyl-3-(2,4-dimethylpentan-3-yl)-1H-1,2,4-triazole
CID 114282263
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine
CID 62674842
4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one
CID 95202543
3,5-bis[(1R)-1-chloroethyl]-1H-1,2,4-triazole
CID 98306481
1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 61338739
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 61337962
cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
CID 61337578
5-cyclopropyl-3-(1-phenylpropyl)-1H-1,2,4-triazole
CID 61336942

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride?
The IUPAC name of 3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride (CID 170918642) is 3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride.
What is the SMILES notation for 3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride?
The canonical SMILES for 3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride is CC(Cl)c1n[nH]c(C2CC2)n1.Cl.
What is the InChIKey of 3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride?
The InChIKey is NWIZPYADOZMORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3.ClH/c1-4(8)6-9-7(11-10-6)5-2-3-5;/h4-5H,2-3H2,1H3,(H,9,10,11);1H.
What are the key properties of 3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride?
3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride is sourced from PubChem (CID 170918642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).