4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol

C10H10N4O — CID 135698959

IUPAC4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
SMILESCc1ccc(O)c(/C=N/c2ncn[nH]2)c1
InChIInChI=1S/C10H10N4O/c1-7-2-3-9(15)8(4-7)5-11-10-12-6-13-14-10/h2-6,15H,1H3,(H,12,13,14)/b11-5+
InChIKeyRPFYFMWGFUIYDI-VZUCSPMQSA-N
MW202.22 g/mol
LogP1.57
Rot. Bonds2

About 4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol

4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol (PubChem CID 135698959) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
PubChem CID135698959
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
SMILESCc1ccc(O)c(/C=N/c2ncn[nH]2)c1
InChIInChI=1S/C10H10N4O/c1-7-2-3-9(15)8(4-7)5-11-10-12-6-13-14-10/h2-6,15H,1H3,(H,12,13,14)/b11-5+
InChIKeyRPFYFMWGFUIYDI-VZUCSPMQSA-N
XLogP1.57
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-Hydroxybenzylideneamino)-4H-1,2,4-triazole
CID 135478834
2,6-di-tert-butyl-4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenol
CID 135512345
2,6-ditert-butyl-4-[(1H-1,2,4-triazol-1-ylimino)methyl]phenol
CID 135719976
2-Allyl-6-([1,2,4]triazol-4-ylaminomethyl)-phenol
CID 929788
4-[(4H-1,2,4-triazol-4-ylimino)methyl]benzenol
CID 135400472
2-bromo-6-[(E)-(1H-1,2,4-triazol-3-ylimino)methyl]phenol
CID 135635856
2-(prop-2-en-1-yl)-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenol
CID 135449590
4-Methyl-2-([1,2,4]triazol-4-ylaminomethyl)-phenol
CID 1079724
2-[(E)-(1H-1,2,4-Triazol-5-ylimino)methyl]phenol
CID 135408690
4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]benzene-1,3-diol
CID 135400284
2-[(E)-1,2,4-triazol-4-yliminomethyl]benzene-1,4-diol
CID 139202207
4-chloro-2-[(Z)-1H-1,2,4-triazol-5-yliminomethyl]phenol
CID 156013556

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The IUPAC name of 4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol (CID 135698959) is 4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol.
What is the SMILES notation for 4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The canonical SMILES for 4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol is Cc1ccc(O)c(/C=N/c2ncn[nH]2)c1.
What is the InChIKey of 4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The InChIKey is RPFYFMWGFUIYDI-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7-2-3-9(15)8(4-7)5-11-10-12-6-13-14-10/h2-6,15H,1H3,(H,12,13,14)/b11-5+.
What are the key properties of 4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol has a molecular weight of 202.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol is sourced from PubChem (CID 135698959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).