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

C11H19N3 — CID 176894352

IUPAC5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole
SMILESC1CCC(C2CCC3=NNCN32)CC1
InChIInChI=1S/C11H19N3/c1-2-4-9(5-3-1)10-6-7-11-13-12-8-14(10)11/h9-10,12H,1-8H2
InChIKeyWUYLEGTWZQXRBW-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.91
Rot. Bonds1

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

5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 176894352) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID176894352
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole
SMILESC1CCC(C2CCC3=NNCN32)CC1
InChIInChI=1S/C11H19N3/c1-2-4-9(5-3-1)10-6-7-11-13-12-8-14(10)11/h9-10,12H,1-8H2
InChIKeyWUYLEGTWZQXRBW-UHFFFAOYSA-N
XLogP1.91
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
CID 170345779
5-cyclopentyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole
CID 176894359

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole (CID 176894352) is 5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole is C1CCC(C2CCC3=NNCN32)CC1.
What is the InChIKey of 5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is WUYLEGTWZQXRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-4-9(5-3-1)10-6-7-11-13-12-8-14(10)11/h9-10,12H,1-8H2.
What are the key properties of 5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole?
5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 193.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 176894352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).