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

C10H18ClN3 — CID 63385561

IUPAC3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole
SMILESCCc1nnc(Cl)n1C(CC)C(C)C
InChIInChI=1S/C10H18ClN3/c1-5-8(7(3)4)14-9(6-2)12-13-10(14)11/h7-8H,5-6H2,1-4H3
InChIKeyYZJPRCNKYUGVTF-UHFFFAOYSA-N
MW215.73 g/mol
LogP3.10
Rot. Bonds4

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

3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole (PubChem CID 63385561) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole
PubChem CID63385561
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole
SMILESCCc1nnc(Cl)n1C(CC)C(C)C
InChIInChI=1S/C10H18ClN3/c1-5-8(7(3)4)14-9(6-2)12-13-10(14)11/h7-8H,5-6H2,1-4H3
InChIKeyYZJPRCNKYUGVTF-UHFFFAOYSA-N
XLogP3.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 53.10
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-(2-methylpentan-3-yl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole (CID 63385561) is 3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole is CCc1nnc(Cl)n1C(CC)C(C)C.
What is the InChIKey of 3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole?
The InChIKey is YZJPRCNKYUGVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-5-8(7(3)4)14-9(6-2)12-13-10(14)11/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole?
3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole has a molecular weight of 215.73 g/mol, XLogP of 3.10, 4 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-(2-methylpentan-3-yl)-1,2,4-triazole is sourced from PubChem (CID 63385561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).