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

C15H26N4 — CID 55166146

IUPAC4-cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole
SMILESCCCC1(c2nnc(C)n2C2CCCC2)CCNC1
InChIInChI=1S/C15H26N4/c1-3-8-15(9-10-16-11-15)14-18-17-12(2)19(14)13-6-4-5-7-13/h13,16H,3-11H2,1-2H3
InChIKeyIPXOIOATXLNCIQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.73
Rot. Bonds4

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

4-cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole (PubChem CID 55166146) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole
PubChem CID55166146
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole
SMILESCCCC1(c2nnc(C)n2C2CCCC2)CCNC1
InChIInChI=1S/C15H26N4/c1-3-8-15(9-10-16-11-15)14-18-17-12(2)19(14)13-6-4-5-7-13/h13,16H,3-11H2,1-2H3
InChIKeyIPXOIOATXLNCIQ-UHFFFAOYSA-N
XLogP2.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.73
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-propylpyrrolidin-3-yl)-1,2,4-triazole?
The IUPAC name of 4-cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole (CID 55166146) is 4-cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole?
The canonical SMILES for 4-cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole is CCCC1(c2nnc(C)n2C2CCCC2)CCNC1.
What is the InChIKey of 4-cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole?
The InChIKey is IPXOIOATXLNCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-8-15(9-10-16-11-15)14-18-17-12(2)19(14)13-6-4-5-7-13/h13,16H,3-11H2,1-2H3.
What are the key properties of 4-cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole?
4-cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole has a molecular weight of 262.40 g/mol, XLogP of 2.73, 4 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-propylpyrrolidin-3-yl)-1,2,4-triazole is sourced from PubChem (CID 55166146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).