3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole

C10H16ClN3 — CID 64687645

IUPAC3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole
SMILESCCc1nnc(Cl)n1C1(C)CCCC1
InChIInChI=1S/C10H16ClN3/c1-3-8-12-13-9(11)14(8)10(2)6-4-5-7-10/h3-7H2,1-2H3
InChIKeyCYLFWFMYZSIQJE-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.78
Rot. Bonds2

About 3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole

3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole (PubChem CID 64687645) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole
PubChem CID64687645
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole
SMILESCCc1nnc(Cl)n1C1(C)CCCC1
InChIInChI=1S/C10H16ClN3/c1-3-8-12-13-9(11)14(8)10(2)6-4-5-7-10/h3-7H2,1-2H3
InChIKeyCYLFWFMYZSIQJE-UHFFFAOYSA-N
XLogP2.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole (CID 64687645) is 3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole is CCc1nnc(Cl)n1C1(C)CCCC1.
What is the InChIKey of 3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole?
The InChIKey is CYLFWFMYZSIQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-3-8-12-13-9(11)14(8)10(2)6-4-5-7-10/h3-7H2,1-2H3.
What are the key properties of 3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole?
3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole has a molecular weight of 213.71 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-4-(1-methylcyclopentyl)-1,2,4-triazole is sourced from PubChem (CID 64687645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).