2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide

C14H11FN4O2 — CID 114389036

IUPAC2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
SMILESO=C(Nc1nccnn1)c1ccc(C#CCCO)cc1F
InChIInChI=1S/C14H11FN4O2/c15-12-9-10(3-1-2-8-20)4-5-11(12)13(21)18-14-16-6-7-17-19-14/h4-7,9,20H,2,8H2,(H,16,18,19,21)
InChIKeyGAEYMVWYKPRSHP-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.00
Rot. Bonds3

About 2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide

2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide (PubChem CID 114389036) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
PubChem CID114389036
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
SMILESO=C(Nc1nccnn1)c1ccc(C#CCCO)cc1F
InChIInChI=1S/C14H11FN4O2/c15-12-9-10(3-1-2-8-20)4-5-11(12)13(21)18-14-16-6-7-17-19-14/h4-7,9,20H,2,8H2,(H,16,18,19,21)
InChIKeyGAEYMVWYKPRSHP-UHFFFAOYSA-N
XLogP1.00
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide with MolForge

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Related Compounds

4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389040
2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60816903
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pyridazin-3-ylbenzamide
CID 116787533
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-propan-2-ylbenzamide
CID 60816110
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 60817061
N-(3-amino-3-oxopropyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60821595
3-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114389062
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60821325
N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60817076
3-(3-hydroxyprop-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389074
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide
CID 63562624
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62199009

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide (CID 114389036) is 2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide is O=C(Nc1nccnn1)c1ccc(C#CCCO)cc1F.
What is the InChIKey of 2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide?
The InChIKey is GAEYMVWYKPRSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-12-9-10(3-1-2-8-20)4-5-11(12)13(21)18-14-16-6-7-17-19-14/h4-7,9,20H,2,8H2,(H,16,18,19,21).
What are the key properties of 2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide?
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide has a molecular weight of 286.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 114389036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).