2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol

C11H12N6O — CID 2726640

IUPAC2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc(N)nc(NN=Cc2ccccc2O)n1
InChIInChI=1S/C11H12N6O/c1-7-14-10(12)16-11(15-7)17-13-6-8-4-2-3-5-9(8)18/h2-6,18H,1H3,(H3,12,14,15,16,17)
InChIKeyJXRXDXDKTMVCLP-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.91
Rot. Bonds3

About 2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol

2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 2726640) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID2726640
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc(N)nc(NN=Cc2ccccc2O)n1
InChIInChI=1S/C11H12N6O/c1-7-14-10(12)16-11(15-7)17-13-6-8-4-2-3-5-9(8)18/h2-6,18H,1H3,(H3,12,14,15,16,17)
InChIKeyJXRXDXDKTMVCLP-UHFFFAOYSA-N
XLogP0.91
TPSA109.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methyl-1,3,5-triazin-2-amine
CID 9634107
2-(4-Amino-6-methyl-1,3,5-triazin-2-yl)phenol
CID 705456
2-[(E)-[2-(4-Amino-5-methyl-4H-1,2,4-triazol-3-YL)hydrazin-1-ylidene]methyl]phenol
CID 135439758
4-[(3,5-Dimethyl-[1,2,4]triazol-4-ylimino)-methyl]-phenol
CID 135457669
2-Allyl-6-{[(E)-3,5-dimethyl-[1,2,4]triazol-4-ylimino]-methyl}-phenol
CID 135457652
2-(((3,5-Dimethyl-4H-1,2,4-triazol-4-YL)imino)methyl)-4,6-diiodophenol
CID 135631972
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]phenol
CID 42601351
3-[(Z)-[(3,5-Dimethyl-4H-1,2,4-triazol-4-YL)imino]methyl]phenol
CID 5402139
2-[(E)-N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-C-methyl-carbonimidoyl]phenol
CID 136233502
2-[(Z)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 136799699
6-[[(3,5-Dimethyl-1,2,4-triazol-4-yl)amino]methylidene]-2-prop-2-enyl-1-cyclohexa-2,4-dienone
CID 760505
(E)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(2-hydroxyphenyl)prop-2-enenitrile
CID 135436346

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol (CID 2726640) is 2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol is Cc1nc(N)nc(NN=Cc2ccccc2O)n1.
What is the InChIKey of 2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is JXRXDXDKTMVCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-7-14-10(12)16-11(15-7)17-13-6-8-4-2-3-5-9(8)18/h2-6,18H,1H3,(H3,12,14,15,16,17).
What are the key properties of 2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?
2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 244.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 2726640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).