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

C7H12ClN3 — CID 71756799

IUPAC3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride
SMILESCc1nc(C2CCC2)n[nH]1.Cl
InChIInChI=1S/C7H11N3.ClH/c1-5-8-7(10-9-5)6-3-2-4-6;/h6H,2-4H2,1H3,(H,8,9,10);1H
InChIKeyNQEWUHRAFSGOQE-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.80
Rot. Bonds1

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

3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride (PubChem CID 71756799) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride.

Molecular Properties

Compound Name3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride
PubChem CID71756799
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride
SMILESCc1nc(C2CCC2)n[nH]1.Cl
InChIInChI=1S/C7H11N3.ClH/c1-5-8-7(10-9-5)6-3-2-4-6;/h6H,2-4H2,1H3,(H,8,9,10);1H
InChIKeyNQEWUHRAFSGOQE-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride?
The IUPAC name of 3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride (CID 71756799) is 3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride.
What is the SMILES notation for 3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride?
The canonical SMILES for 3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride is Cc1nc(C2CCC2)n[nH]1.Cl.
What is the InChIKey of 3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride?
The InChIKey is NQEWUHRAFSGOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.ClH/c1-5-8-7(10-9-5)6-3-2-4-6;/h6H,2-4H2,1H3,(H,8,9,10);1H.
What are the key properties of 3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride?
3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride has a molecular weight of 173.65 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-methyl-1H-1,2,4-triazole;hydrochloride is sourced from PubChem (CID 71756799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).