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

C6H9Cl2N3 — CID 71757856

IUPAC5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride
SMILESCl.ClCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C6H8ClN3.ClH/c7-3-5-8-6(10-9-5)4-1-2-4;/h4H,1-3H2,(H,8,9,10);1H
InChIKeyLAHWRPBDPKWDNC-UHFFFAOYSA-N
MW194.06 g/mol
LogP1.84
Rot. Bonds2

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

5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride (PubChem CID 71757856) has the molecular formula C6H9Cl2N3 and a molecular weight of 194.06 g/mol. Its IUPAC name is 5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride
PubChem CID71757856
Molecular FormulaC6H9Cl2N3
Molecular Weight194.06 g/mol
Exact Mass193.02
IUPAC Name5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride
SMILESCl.ClCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C6H8ClN3.ClH/c7-3-5-8-6(10-9-5)4-1-2-4;/h4H,1-3H2,(H,8,9,10);1H
InChIKeyLAHWRPBDPKWDNC-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride (CID 71757856) is 5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride is Cl.ClCc1nc(C2CC2)n[nH]1.
What is the InChIKey of 5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride?
The InChIKey is LAHWRPBDPKWDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3.ClH/c7-3-5-8-6(10-9-5)4-1-2-4;/h4H,1-3H2,(H,8,9,10);1H.
What are the key properties of 5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride?
5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride has a molecular weight of 194.06 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride is sourced from PubChem (CID 71757856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).