4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole

C13H21N3 — CID 90130761

IUPAC4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole
SMILESCC(C)CC1CC(c2nncn2C2CC2)C1
InChIInChI=1S/C13H21N3/c1-9(2)5-10-6-11(7-10)13-15-14-8-16(13)12-3-4-12/h8-12H,3-7H2,1-2H3
InChIKeyPDDNMZPYSNUMQB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.15
Rot. Bonds4

About 4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole

4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole (PubChem CID 90130761) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole
PubChem CID90130761
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole
SMILESCC(C)CC1CC(c2nncn2C2CC2)C1
InChIInChI=1S/C13H21N3/c1-9(2)5-10-6-11(7-10)13-15-14-8-16(13)12-3-4-12/h8-12H,3-7H2,1-2H3
InChIKeyPDDNMZPYSNUMQB-UHFFFAOYSA-N
XLogP3.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole (CID 90130761) is 4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole is CC(C)CC1CC(c2nncn2C2CC2)C1.
What is the InChIKey of 4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole?
The InChIKey is PDDNMZPYSNUMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(2)5-10-6-11(7-10)13-15-14-8-16(13)12-3-4-12/h8-12H,3-7H2,1-2H3.
What are the key properties of 4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole?
4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole has a molecular weight of 219.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazole is sourced from PubChem (CID 90130761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).