3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole

C12H20ClN3 — CID 63927364

IUPAC3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole
SMILESCC(C)CCC(C)n1c(Cl)nnc1C1CC1
InChIInChI=1S/C12H20ClN3/c1-8(2)4-5-9(3)16-11(10-6-7-10)14-15-12(16)13/h8-10H,4-7H2,1-3H3
InChIKeyGVTMNPFYHIIAMJ-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.81
Rot. Bonds5

About 3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole

3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole (PubChem CID 63927364) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole
PubChem CID63927364
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole
SMILESCC(C)CCC(C)n1c(Cl)nnc1C1CC1
InChIInChI=1S/C12H20ClN3/c1-8(2)4-5-9(3)16-11(10-6-7-10)14-15-12(16)13/h8-10H,4-7H2,1-3H3
InChIKeyGVTMNPFYHIIAMJ-UHFFFAOYSA-N
XLogP3.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole
CID 63384338
3-chloro-5-ethyl-4-(5-methylhexan-2-yl)-1,2,4-triazole
CID 63927365
3-chloro-5-cyclopropyl-4-octan-4-yl-1,2,4-triazole
CID 106027536
3-chloro-5-cyclopropyl-4-[1-(4-methoxyphenyl)ethyl]-1,2,4-triazole
CID 66243669
3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole
CID 63384392
3-chloro-4,5-dicyclopropyl-1,2,4-triazole
CID 63384839
3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 63385744
6-chloro-2-cyclopropyl-3-(3-methylbutyl)pyrimidin-4-one
CID 114584663
3-chloro-4-hexan-2-yl-5-propan-2-yl-1,2,4-triazole
CID 63385191
3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole
CID 55182936
3-chloro-5-methyl-4-octan-2-yl-1,2,4-triazole
CID 63385652
[5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594183

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole (CID 63927364) is 3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole is CC(C)CCC(C)n1c(Cl)nnc1C1CC1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole?
The InChIKey is GVTMNPFYHIIAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-8(2)4-5-9(3)16-11(10-6-7-10)14-15-12(16)13/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole has a molecular weight of 241.77 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 63927364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).