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

C10H15N3O — CID 170345731

IUPAC5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
SMILESO=c1[nH]nc2n1C(C1CCCC1)CC2
InChIInChI=1S/C10H15N3O/c14-10-12-11-9-6-5-8(13(9)10)7-3-1-2-4-7/h7-8H,1-6H2,(H,12,14)
InChIKeyIRIMVENQAGYSDA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.25
Rot. Bonds1

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

5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one (PubChem CID 170345731) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one.

Molecular Properties

Compound Name5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
PubChem CID170345731
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
SMILESO=c1[nH]nc2n1C(C1CCCC1)CC2
InChIInChI=1S/C10H15N3O/c14-10-12-11-9-6-5-8(13(9)10)7-3-1-2-4-7/h7-8H,1-6H2,(H,12,14)
InChIKeyIRIMVENQAGYSDA-UHFFFAOYSA-N
XLogP1.25
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-4-cyclopropyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 117764436
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
3-cyclopentyl-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953786

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one?
The IUPAC name of 5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one (CID 170345731) is 5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one.
What is the SMILES notation for 5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one?
The canonical SMILES for 5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one is O=c1[nH]nc2n1C(C1CCCC1)CC2.
What is the InChIKey of 5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one?
The InChIKey is IRIMVENQAGYSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10-12-11-9-6-5-8(13(9)10)7-3-1-2-4-7/h7-8H,1-6H2,(H,12,14).
What are the key properties of 5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one?
5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one has a molecular weight of 193.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one is sourced from PubChem (CID 170345731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).