4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole

C13H22N4 — CID 55165954

IUPAC4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole
SMILESCc1nnc(C2(C)CCNC2)n1C1CCCC1
InChIInChI=1S/C13H22N4/c1-10-15-16-12(13(2)7-8-14-9-13)17(10)11-5-3-4-6-11/h11,14H,3-9H2,1-2H3
InChIKeyUOUBAWYYOLIVJF-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.95
Rot. Bonds2

About 4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole

4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole (PubChem CID 55165954) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole
PubChem CID55165954
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole
SMILESCc1nnc(C2(C)CCNC2)n1C1CCCC1
InChIInChI=1S/C13H22N4/c1-10-15-16-12(13(2)7-8-14-9-13)17(10)11-5-3-4-6-11/h11,14H,3-9H2,1-2H3
InChIKeyUOUBAWYYOLIVJF-UHFFFAOYSA-N
XLogP1.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole?
The IUPAC name of 4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole (CID 55165954) is 4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole?
The canonical SMILES for 4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole is Cc1nnc(C2(C)CCNC2)n1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole?
The InChIKey is UOUBAWYYOLIVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-15-16-12(13(2)7-8-14-9-13)17(10)11-5-3-4-6-11/h11,14H,3-9H2,1-2H3.
What are the key properties of 4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole?
4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole has a molecular weight of 234.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole is sourced from PubChem (CID 55165954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).