3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole

C13H22N4 — CID 55111428

IUPAC3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
SMILESCn1nc(C2CCCC2)nc1CC1CCCN1
InChIInChI=1S/C13H22N4/c1-17-12(9-11-7-4-8-14-11)15-13(16-17)10-5-2-3-6-10/h10-11,14H,2-9H2,1H3
InChIKeyWWIDTFGOOLAFAA-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.77
Rot. Bonds3

About 3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole

3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole (PubChem CID 55111428) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
PubChem CID55111428
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
SMILESCn1nc(C2CCCC2)nc1CC1CCCN1
InChIInChI=1S/C13H22N4/c1-17-12(9-11-7-4-8-14-11)15-13(16-17)10-5-2-3-6-10/h10-11,14H,2-9H2,1H3
InChIKeyWWIDTFGOOLAFAA-UHFFFAOYSA-N
XLogP1.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole (CID 55111428) is 3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole is Cn1nc(C2CCCC2)nc1CC1CCCN1.
What is the InChIKey of 3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
The InChIKey is WWIDTFGOOLAFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-17-12(9-11-7-4-8-14-11)15-13(16-17)10-5-2-3-6-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole has a molecular weight of 234.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 55111428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).