5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole

C11H19N3 — CID 67736475

IUPAC5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole
SMILESCCC1CC(c2ncnn2C(C)C)C1
InChIInChI=1S/C11H19N3/c1-4-9-5-10(6-9)11-12-7-13-14(11)8(2)3/h7-10H,4-6H2,1-3H3
InChIKeyPBJPWRHOSABJQG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.76
Rot. Bonds3

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

5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole (PubChem CID 67736475) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole
PubChem CID67736475
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole
SMILESCCC1CC(c2ncnn2C(C)C)C1
InChIInChI=1S/C11H19N3/c1-4-9-5-10(6-9)11-12-7-13-14(11)8(2)3/h7-10H,4-6H2,1-3H3
InChIKeyPBJPWRHOSABJQG-UHFFFAOYSA-N
XLogP2.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.76
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-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole (CID 67736475) is 5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole is CCC1CC(c2ncnn2C(C)C)C1.
What is the InChIKey of 5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole?
The InChIKey is PBJPWRHOSABJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-9-5-10(6-9)11-12-7-13-14(11)8(2)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole?
5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole has a molecular weight of 193.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylcyclobutyl)-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 67736475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).