4-cyclohexyl-3-ethyl-1,2,4-triazole

C10H17N3 — CID 3083863

IUPAC4-cyclohexyl-3-ethyl-1,2,4-triazole
SMILESCCc1nncn1C1CCCCC1
InChIInChI=1S/C10H17N3/c1-2-10-12-11-8-13(10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3
InChIKeyDFIYTRTXUYWZSK-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.35
Rot. Bonds2

About 4-cyclohexyl-3-ethyl-1,2,4-triazole

4-cyclohexyl-3-ethyl-1,2,4-triazole (PubChem CID 3083863) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-cyclohexyl-3-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclohexyl-3-ethyl-1,2,4-triazole
PubChem CID3083863
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-cyclohexyl-3-ethyl-1,2,4-triazole
SMILESCCc1nncn1C1CCCCC1
InChIInChI=1S/C10H17N3/c1-2-10-12-11-8-13(10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3
InChIKeyDFIYTRTXUYWZSK-UHFFFAOYSA-N
XLogP2.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-ethyl-1,2,4-triazole?
The IUPAC name of 4-cyclohexyl-3-ethyl-1,2,4-triazole (CID 3083863) is 4-cyclohexyl-3-ethyl-1,2,4-triazole.
What is the SMILES notation for 4-cyclohexyl-3-ethyl-1,2,4-triazole?
The canonical SMILES for 4-cyclohexyl-3-ethyl-1,2,4-triazole is CCc1nncn1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-ethyl-1,2,4-triazole?
The InChIKey is DFIYTRTXUYWZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-10-12-11-8-13(10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3.
What are the key properties of 4-cyclohexyl-3-ethyl-1,2,4-triazole?
4-cyclohexyl-3-ethyl-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-ethyl-1,2,4-triazole is sourced from PubChem (CID 3083863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).