5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one

C11H12N4O2 — CID 135771764

IUPAC5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1cc(O)ccc1Nc1nc(=O)[nH]nc1C
InChIInChI=1S/C11H12N4O2/c1-6-5-8(16)3-4-9(6)12-10-7(2)14-15-11(17)13-10/h3-5,16H,1-2H3,(H2,12,13,15,17)
InChIKeySKBPHRKHXPXRLQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.23
Rot. Bonds2

About 5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one

5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 135771764) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID135771764
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1cc(O)ccc1Nc1nc(=O)[nH]nc1C
InChIInChI=1S/C11H12N4O2/c1-6-5-8(16)3-4-9(6)12-10-7(2)14-15-11(17)13-10/h3-5,16H,1-2H3,(H2,12,13,15,17)
InChIKeySKBPHRKHXPXRLQ-UHFFFAOYSA-N
XLogP1.23
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
CID 2792518
6-methyl-5-(2,4,6-trimethylanilino)-2H-1,2,4-triazin-3-one
CID 4071477
5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412186
3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one
CID 135651963
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol
CID 101088452
6-methyl-5-[4-(4-methylpiperidin-1-yl)anilino]-2H-1,2,4-triazin-3-one
CID 23412049
4-[[5-[4-(4-bromophenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139405684
2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065111
4-[[5-(6-chloro-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139391743
5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412161
6-methyl-5-(2-methylpropylamino)-2H-1,2,4-triazin-3-one
CID 4066351
4-[(2-amino-6-propylpyrimidin-4-yl)amino]-3-methylphenol
CID 67949001

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one (CID 135771764) is 5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one is Cc1cc(O)ccc1Nc1nc(=O)[nH]nc1C.
What is the InChIKey of 5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is SKBPHRKHXPXRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6-5-8(16)3-4-9(6)12-10-7(2)14-15-11(17)13-10/h3-5,16H,1-2H3,(H2,12,13,15,17).
What are the key properties of 5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one?
5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 232.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 135771764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).