5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one

C11H17N3O — CID 170345779

IUPAC5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
SMILESO=c1[nH]nc2n1C(C1CCCCC1)CC2
InChIInChI=1S/C11H17N3O/c15-11-13-12-10-7-6-9(14(10)11)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,13,15)
InChIKeyWTYXZKKICXVHJF-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.64
Rot. Bonds1

About 5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one

5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one (PubChem CID 170345779) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one.

Molecular Properties

Compound Name5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
PubChem CID170345779
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
SMILESO=c1[nH]nc2n1C(C1CCCCC1)CC2
InChIInChI=1S/C11H17N3O/c15-11-13-12-10-7-6-9(14(10)11)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,13,15)
InChIKeyWTYXZKKICXVHJF-UHFFFAOYSA-N
XLogP1.64
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one?
The IUPAC name of 5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one (CID 170345779) is 5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one.
What is the SMILES notation for 5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one?
The canonical SMILES for 5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one is O=c1[nH]nc2n1C(C1CCCCC1)CC2.
What is the InChIKey of 5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one?
The InChIKey is WTYXZKKICXVHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11-13-12-10-7-6-9(14(10)11)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,13,15).
What are the key properties of 5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one?
5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one has a molecular weight of 207.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one is sourced from PubChem (CID 170345779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).