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

C12H18ClN3 — CID 64923468

IUPAC3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole
SMILESCC1CCC(n2c(Cl)nnc2C2CC2)C1C
InChIInChI=1S/C12H18ClN3/c1-7-3-6-10(8(7)2)16-11(9-4-5-9)14-15-12(16)13/h7-10H,3-6H2,1-2H3
InChIKeyHGSJUZNSWGPEHX-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.42
Rot. Bonds2

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

3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole (PubChem CID 64923468) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole
PubChem CID64923468
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole
SMILESCC1CCC(n2c(Cl)nnc2C2CC2)C1C
InChIInChI=1S/C12H18ClN3/c1-7-3-6-10(8(7)2)16-11(9-4-5-9)14-15-12(16)13/h7-10H,3-6H2,1-2H3
InChIKeyHGSJUZNSWGPEHX-UHFFFAOYSA-N
XLogP3.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole (CID 64923468) is 3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole is CC1CCC(n2c(Cl)nnc2C2CC2)C1C.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole?
The InChIKey is HGSJUZNSWGPEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-7-3-6-10(8(7)2)16-11(9-4-5-9)14-15-12(16)13/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole has a molecular weight of 239.75 g/mol, XLogP of 3.42, 2 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-(2,3-dimethylcyclopentyl)-1,2,4-triazole is sourced from PubChem (CID 64923468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).