[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone

C17H15FN4O2 — CID 17395240

IUPAC[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCn1cc(C(=O)c2cc(F)ccc2O)cc1-c1nnc2n1CCC2
InChIInChI=1S/C17H15FN4O2/c1-21-9-10(16(24)12-8-11(18)4-5-14(12)23)7-13(21)17-20-19-15-3-2-6-22(15)17/h4-5,7-9,23H,2-3,6H2,1H3
InChIKeyOEQXTQQTGPNZRN-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.31
Rot. Bonds3

About [5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone

[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 17395240) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is [5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID17395240
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCn1cc(C(=O)c2cc(F)ccc2O)cc1-c1nnc2n1CCC2
InChIInChI=1S/C17H15FN4O2/c1-21-9-10(16(24)12-8-11(18)4-5-14(12)23)7-13(21)17-20-19-15-3-2-6-22(15)17/h4-5,7-9,23H,2-3,6H2,1H3
InChIKeyOEQXTQQTGPNZRN-UHFFFAOYSA-N
XLogP2.31
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of [5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone (CID 17395240) is [5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for [5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone is Cn1cc(C(=O)c2cc(F)ccc2O)cc1-c1nnc2n1CCC2.
What is the InChIKey of [5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is OEQXTQQTGPNZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-21-9-10(16(24)12-8-11(18)4-5-14(12)23)7-13(21)17-20-19-15-3-2-6-22(15)17/h4-5,7-9,23H,2-3,6H2,1H3.
What are the key properties of [5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 326.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylpyrrol-3-yl]-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 17395240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).