4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol

C19H14FN5O — CID 59837752

IUPAC4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol
SMILESCc1cc2nc(Nc3cccnc3)nnc2cc1-c1cc(O)ccc1F
InChIInChI=1S/C19H14FN5O/c1-11-7-17-18(9-14(11)15-8-13(26)4-5-16(15)20)24-25-19(23-17)22-12-3-2-6-21-10-12/h2-10,26H,1H3,(H,22,23,25)
InChIKeyMEAMGBYHXGIBPY-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.98
Rot. Bonds3

About 4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol

4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol (PubChem CID 59837752) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol.

Molecular Properties

Compound Name4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol
PubChem CID59837752
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol
SMILESCc1cc2nc(Nc3cccnc3)nnc2cc1-c1cc(O)ccc1F
InChIInChI=1S/C19H14FN5O/c1-11-7-17-18(9-14(11)15-8-13(26)4-5-16(15)20)24-25-19(23-17)22-12-3-2-6-21-10-12/h2-10,26H,1H3,(H,22,23,25)
InChIKeyMEAMGBYHXGIBPY-UHFFFAOYSA-N
XLogP3.98
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(Quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenol
CID 127046394
4-[2-amino-8-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166626454
4-[2-amino-8-[[(3S)-1-methylpiperidin-3-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166633169
US11208399, Example 43
CID 155284538
3-(3-Aminobenzo[e][1,2,4]triazin-7-yl)phenol
CID 18455703
3-[3-(4-Methylpiperazin-4-ium-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
CID 44629738
4-[2-Amino-8-[(1-methylpiperidin-4-yl)amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166626053
4-[2-Amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166626904
4-[2-Amino-8-[(1-methylpiperidin-4-yl)methylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166627206
4-[2-amino-8-[[(3R)-1-methylpiperidin-3-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166634585
3-[6-(5-Quinolyl)imidazo [1,2-b]pyridazin-3-yl]phenol
CID 90479882
4-[[7-(2-fluoro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 11620615

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol?
The IUPAC name of 4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol (CID 59837752) is 4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol.
What is the SMILES notation for 4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol?
The canonical SMILES for 4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol is Cc1cc2nc(Nc3cccnc3)nnc2cc1-c1cc(O)ccc1F.
What is the InChIKey of 4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol?
The InChIKey is MEAMGBYHXGIBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-11-7-17-18(9-14(11)15-8-13(26)4-5-16(15)20)24-25-19(23-17)22-12-3-2-6-21-10-12/h2-10,26H,1H3,(H,22,23,25).
What are the key properties of 4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol?
4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol has a molecular weight of 347.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[6-methyl-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-7-yl]phenol is sourced from PubChem (CID 59837752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).