3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole

C8H12ClN3 — CID 63384392

IUPAC3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole
SMILESCCCn1c(Cl)nnc1C1CC1
InChIInChI=1S/C8H12ClN3/c1-2-5-12-7(6-3-4-6)10-11-8(12)9/h6H,2-5H2,1H3
InChIKeyHFYURYVSVMCLCS-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.22
Rot. Bonds3

About 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole

3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole (PubChem CID 63384392) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole
PubChem CID63384392
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole
SMILESCCCn1c(Cl)nnc1C1CC1
InChIInChI=1S/C8H12ClN3/c1-2-5-12-7(6-3-4-6)10-11-8(12)9/h6H,2-5H2,1H3
InChIKeyHFYURYVSVMCLCS-UHFFFAOYSA-N
XLogP2.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.22
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-propyl-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole (CID 63384392) is 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole is CCCn1c(Cl)nnc1C1CC1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole?
The InChIKey is HFYURYVSVMCLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-2-5-12-7(6-3-4-6)10-11-8(12)9/h6H,2-5H2,1H3.
What are the key properties of 3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole has a molecular weight of 185.66 g/mol, XLogP of 2.22, 3 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-propyl-1,2,4-triazole is sourced from PubChem (CID 63384392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).