3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole

C12H20N4 — CID 62722373

IUPAC3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
SMILESCn1nc(C2CCCC2)nc1C1CCCN1
InChIInChI=1S/C12H20N4/c1-16-12(10-7-4-8-13-10)14-11(15-16)9-5-2-3-6-9/h9-10,13H,2-8H2,1H3
InChIKeyVUTABKQBNJOIQR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.90
Rot. Bonds2

About 3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole

3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole (PubChem CID 62722373) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
PubChem CID62722373
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
SMILESCn1nc(C2CCCC2)nc1C1CCCN1
InChIInChI=1S/C12H20N4/c1-16-12(10-7-4-8-13-10)14-11(15-16)9-5-2-3-6-9/h9-10,13H,2-8H2,1H3
InChIKeyVUTABKQBNJOIQR-UHFFFAOYSA-N
XLogP1.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693
1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 62721052
2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine
CID 62721773
4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 62722912
2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
CID 104915236
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 64815858
3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 84664294
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 95566954

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole (CID 62722373) is 3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole is Cn1nc(C2CCCC2)nc1C1CCCN1.
What is the InChIKey of 3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole?
The InChIKey is VUTABKQBNJOIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-16-12(10-7-4-8-13-10)14-11(15-16)9-5-2-3-6-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole?
3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole has a molecular weight of 220.32 g/mol, XLogP of 1.90, 2 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-yl-1,2,4-triazole is sourced from PubChem (CID 62722373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).