2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C13H18FN3 — CID 175613417

IUPAC2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESC=C(c1nc2n(n1)C(CCC)CC2F)C1CC1
InChIInChI=1S/C13H18FN3/c1-3-4-10-7-11(14)13-15-12(16-17(10)13)8(2)9-5-6-9/h9-11H,2-7H2,1H3
InChIKeyDVCVFVUMNJSVHE-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.46
Rot. Bonds4

About 2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 175613417) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID175613417
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESC=C(c1nc2n(n1)C(CCC)CC2F)C1CC1
InChIInChI=1S/C13H18FN3/c1-3-4-10-7-11(14)13-15-12(16-17(10)13)8(2)9-5-6-9/h9-11H,2-7H2,1H3
InChIKeyDVCVFVUMNJSVHE-UHFFFAOYSA-N
XLogP3.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 175613417) is 2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is C=C(c1nc2n(n1)C(CCC)CC2F)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is DVCVFVUMNJSVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-3-4-10-7-11(14)13-15-12(16-17(10)13)8(2)9-5-6-9/h9-11H,2-7H2,1H3.
What are the key properties of 2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 235.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethenyl)-7-fluoro-5-propyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 175613417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).