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

C14H16ClN3 — CID 55185338

IUPAC3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole
SMILESCCCc1ccccc1-n1c(Cl)nnc1C1CC1
InChIInChI=1S/C14H16ClN3/c1-2-5-10-6-3-4-7-12(10)18-13(11-8-9-11)16-17-14(18)15/h3-4,6-7,11H,2,5,8-9H2,1H3
InChIKeyOYKPLKUYOUVMDU-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.75
Rot. Bonds4

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

3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole (PubChem CID 55185338) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole
PubChem CID55185338
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole
SMILESCCCc1ccccc1-n1c(Cl)nnc1C1CC1
InChIInChI=1S/C14H16ClN3/c1-2-5-10-6-3-4-7-12(10)18-13(11-8-9-11)16-17-14(18)15/h3-4,6-7,11H,2,5,8-9H2,1H3
InChIKeyOYKPLKUYOUVMDU-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.75
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-propylphenyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole (CID 55185338) is 3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole is CCCc1ccccc1-n1c(Cl)nnc1C1CC1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole?
The InChIKey is OYKPLKUYOUVMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-2-5-10-6-3-4-7-12(10)18-13(11-8-9-11)16-17-14(18)15/h3-4,6-7,11H,2,5,8-9H2,1H3.
What are the key properties of 3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole has a molecular weight of 261.76 g/mol, XLogP of 3.75, 4 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-propylphenyl)-1,2,4-triazole is sourced from PubChem (CID 55185338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).