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

C12H16FN3 — CID 175611843

IUPAC2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESC=C(c1nc2n(n1)C(CC)CC2F)C1CC1
InChIInChI=1S/C12H16FN3/c1-3-9-6-10(13)12-14-11(15-16(9)12)7(2)8-4-5-8/h8-10H,2-6H2,1H3
InChIKeyGXJCBJQQUZVWQZ-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.07
Rot. Bonds3

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

2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 175611843) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID175611843
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESC=C(c1nc2n(n1)C(CC)CC2F)C1CC1
InChIInChI=1S/C12H16FN3/c1-3-9-6-10(13)12-14-11(15-16(9)12)7(2)8-4-5-8/h8-10H,2-6H2,1H3
InChIKeyGXJCBJQQUZVWQZ-UHFFFAOYSA-N
XLogP3.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 175611843) is 2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is C=C(c1nc2n(n1)C(CC)CC2F)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is GXJCBJQQUZVWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-3-9-6-10(13)12-14-11(15-16(9)12)7(2)8-4-5-8/h8-10H,2-6H2,1H3.
What are the key properties of 2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 221.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethenyl)-5-ethyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 175611843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).