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

C10H10N4O2 — CID 135651963

IUPAC3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one
SMILESCc1cc(O)ccc1Nc1nncc(=O)[nH]1
InChIInChI=1S/C10H10N4O2/c1-6-4-7(15)2-3-8(6)12-10-13-9(16)5-11-14-10/h2-5,15H,1H3,(H2,12,13,14,16)
InChIKeyLWLLGYBUDVSFQY-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.92
Rot. Bonds2

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

3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one (PubChem CID 135651963) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one
PubChem CID135651963
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one
SMILESCc1cc(O)ccc1Nc1nncc(=O)[nH]1
InChIInChI=1S/C10H10N4O2/c1-6-4-7(15)2-3-8(6)12-10-13-9(16)5-11-14-10/h2-5,15H,1H3,(H2,12,13,14,16)
InChIKeyLWLLGYBUDVSFQY-UHFFFAOYSA-N
XLogP0.92
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.92
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

3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one
CID 136779233
5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one
CID 135771764
3-(4-tert-butylanilino)-4H-1,2,4-triazin-5-one
CID 135880045
ethyl 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate
CID 135445475
3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one
CID 136779338
2-(4-chloro-2-methylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779020
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol
CID 101088452
2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one
CID 136779231
3-[2-[(2-hydroxyphenyl)methyl]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135409237
(2S)-N-(2,4-dimethylphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 135552201
4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide
CID 22170262
2-(4-hydroxy-2-methylanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 45379608

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one (CID 135651963) is 3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one is Cc1cc(O)ccc1Nc1nncc(=O)[nH]1.
What is the InChIKey of 3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one?
The InChIKey is LWLLGYBUDVSFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-4-7(15)2-3-8(6)12-10-13-9(16)5-11-14-10/h2-5,15H,1H3,(H2,12,13,14,16).
What are the key properties of 3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one?
3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one has a molecular weight of 218.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-methylanilino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135651963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).