5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole

C9H15N3 — CID 67746867

IUPAC5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole
SMILESCCC1CC(c2ncnn2C)C1
InChIInChI=1S/C9H15N3/c1-3-7-4-8(5-7)9-10-6-11-12(9)2/h6-8H,3-5H2,1-2H3
InChIKeyFQKPKRYYSCYKFS-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds2

About 5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole

5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole (PubChem CID 67746867) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole
PubChem CID67746867
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole
SMILESCCC1CC(c2ncnn2C)C1
InChIInChI=1S/C9H15N3/c1-3-7-4-8(5-7)9-10-6-11-12(9)2/h6-8H,3-5H2,1-2H3
InChIKeyFQKPKRYYSCYKFS-UHFFFAOYSA-N
XLogP1.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole (CID 67746867) is 5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole is CCC1CC(c2ncnn2C)C1.
What is the InChIKey of 5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole?
The InChIKey is FQKPKRYYSCYKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-7-4-8(5-7)9-10-6-11-12(9)2/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole?
5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylcyclobutyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 67746867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).