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

C7H11Cl2N3 — CID 71758101

IUPAC3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride
SMILESCc1nnc(CCl)n1C1CC1.Cl
InChIInChI=1S/C7H10ClN3.ClH/c1-5-9-10-7(4-8)11(5)6-2-3-6;/h6H,2-4H2,1H3;1H
InChIKeyFYVXMNBEACDHHL-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.08
Rot. Bonds2

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

3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride (PubChem CID 71758101) has the molecular formula C7H11Cl2N3 and a molecular weight of 208.09 g/mol. Its IUPAC name is 3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride.

Molecular Properties

Compound Name3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride
PubChem CID71758101
Molecular FormulaC7H11Cl2N3
Molecular Weight208.09 g/mol
Exact Mass207.03
IUPAC Name3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride
SMILESCc1nnc(CCl)n1C1CC1.Cl
InChIInChI=1S/C7H10ClN3.ClH/c1-5-9-10-7(4-8)11(5)6-2-3-6;/h6H,2-4H2,1H3;1H
InChIKeyFYVXMNBEACDHHL-UHFFFAOYSA-N
XLogP2.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride?
The IUPAC name of 3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride (CID 71758101) is 3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride.
What is the SMILES notation for 3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride?
The canonical SMILES for 3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride is Cc1nnc(CCl)n1C1CC1.Cl.
What is the InChIKey of 3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride?
The InChIKey is FYVXMNBEACDHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3.ClH/c1-5-9-10-7(4-8)11(5)6-2-3-6;/h6H,2-4H2,1H3;1H.
What are the key properties of 3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride?
3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-cyclopropyl-5-methyl-1,2,4-triazole;hydrochloride is sourced from PubChem (CID 71758101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).