cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone

C12H16FN3O — CID 137409217

IUPACcyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
SMILESCC(C)C1CC(F)c2nc(C(=O)C3CC3)nn21
InChIInChI=1S/C12H16FN3O/c1-6(2)9-5-8(13)12-14-11(15-16(9)12)10(17)7-3-4-7/h6-9H,3-5H2,1-2H3
InChIKeyPTTPTZMTRGOUSW-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.48
Rot. Bonds3

About cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone

cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone (PubChem CID 137409217) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
PubChem CID137409217
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Namecyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
SMILESCC(C)C1CC(F)c2nc(C(=O)C3CC3)nn21
InChIInChI=1S/C12H16FN3O/c1-6(2)9-5-8(13)12-14-11(15-16(9)12)10(17)7-3-4-7/h6-9H,3-5H2,1-2H3
InChIKeyPTTPTZMTRGOUSW-UHFFFAOYSA-N
XLogP2.48
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
The IUPAC name of cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone (CID 137409217) is cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone.
What is the SMILES notation for cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
The canonical SMILES for cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone is CC(C)C1CC(F)c2nc(C(=O)C3CC3)nn21.
What is the InChIKey of cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
The InChIKey is PTTPTZMTRGOUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-6(2)9-5-8(13)12-14-11(15-16(9)12)10(17)7-3-4-7/h6-9H,3-5H2,1-2H3.
What are the key properties of cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone has a molecular weight of 237.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(7-fluoro-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone is sourced from PubChem (CID 137409217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).