5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol

C15H12FN5O — CID 171807258

IUPAC5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1nccnn1
InChIInChI=1S/C15H12FN5O/c16-11-4-3-10(13(22)8-11)9-19-14-12(2-1-5-17-14)15-18-6-7-20-21-15/h1-8,22H,9H2,(H,17,19)
InChIKeyOJJZLXTYPOUKMM-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.39
Rot. Bonds4

About 5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol

5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol (PubChem CID 171807258) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol
PubChem CID171807258
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC Name5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1nccnn1
InChIInChI=1S/C15H12FN5O/c16-11-4-3-10(13(22)8-11)9-19-14-12(2-1-5-17-14)15-18-6-7-20-21-15/h1-8,22H,9H2,(H,17,19)
InChIKeyOJJZLXTYPOUKMM-UHFFFAOYSA-N
XLogP2.39
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol?
The IUPAC name of 5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol (CID 171807258) is 5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol is Oc1cc(F)ccc1CNc1ncccc1-c1nccnn1.
What is the InChIKey of 5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol?
The InChIKey is OJJZLXTYPOUKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-11-4-3-10(13(22)8-11)9-19-14-12(2-1-5-17-14)15-18-6-7-20-21-15/h1-8,22H,9H2,(H,17,19).
What are the key properties of 5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol?
5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol has a molecular weight of 297.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 171807258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).