4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one

C11H11N3O2 — CID 117127654

IUPAC4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one
SMILESCn1ncc(-c2ccc(O)cc2)c(N)c1=O
InChIInChI=1S/C11H11N3O2/c1-14-11(16)10(12)9(6-13-14)7-2-4-8(15)5-3-7/h2-6,15H,12H2,1H3
InChIKeyNGXVBAQOFJUDSD-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.74
Rot. Bonds1

About 4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one

4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one (PubChem CID 117127654) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one
PubChem CID117127654
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one
SMILESCn1ncc(-c2ccc(O)cc2)c(N)c1=O
InChIInChI=1S/C11H11N3O2/c1-14-11(16)10(12)9(6-13-14)7-2-4-8(15)5-3-7/h2-6,15H,12H2,1H3
InChIKeyNGXVBAQOFJUDSD-UHFFFAOYSA-N
XLogP0.74
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-methyl-5-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 117127653
2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423482
4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
CID 105423469
4-amino-2-methyl-5-sulfanylpyridazin-3-one
CID 13046008
3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol
CID 105423248
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one
CID 174323192
4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
CID 115053624
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
4-(1-methyl-5-propan-2-ylpyrazol-4-yl)sulfonylphenol
CID 14771501
2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid
CID 82036569
5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid
CID 117380458

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one (CID 117127654) is 4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one is Cn1ncc(-c2ccc(O)cc2)c(N)c1=O.
What is the InChIKey of 4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one?
The InChIKey is NGXVBAQOFJUDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-11(16)10(12)9(6-13-14)7-2-4-8(15)5-3-7/h2-6,15H,12H2,1H3.
What are the key properties of 4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one?
4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one has a molecular weight of 217.23 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 117127654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).