5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole

C10H17N3 — CID 176894359

IUPAC5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole
SMILESC1CCC(C2CCC3=NNCN32)C1
InChIInChI=1S/C10H17N3/c1-2-4-8(3-1)9-5-6-10-12-11-7-13(9)10/h8-9,11H,1-7H2
InChIKeyFRLUKRMWFFKEAL-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.52
Rot. Bonds1

About 5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole

5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 176894359) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID176894359
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole
SMILESC1CCC(C2CCC3=NNCN32)C1
InChIInChI=1S/C10H17N3/c1-2-4-8(3-1)9-5-6-10-12-11-7-13(9)10/h8-9,11H,1-7H2
InChIKeyFRLUKRMWFFKEAL-UHFFFAOYSA-N
XLogP1.52
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
CID 170345731
5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole
CID 176894352

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole (CID 176894359) is 5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole is C1CCC(C2CCC3=NNCN32)C1.
What is the InChIKey of 5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is FRLUKRMWFFKEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-4-8(3-1)9-5-6-10-12-11-7-13(9)10/h8-9,11H,1-7H2.
What are the key properties of 5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole?
5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 179.27 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 176894359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).