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

C10H10N4O — CID 135421647

IUPAC5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
SMILESCc1ccc(/C=N/c2ncn[nH]2)c(O)c1
InChIInChI=1S/C10H10N4O/c1-7-2-3-8(9(15)4-7)5-11-10-12-6-13-14-10/h2-6,15H,1H3,(H,12,13,14)/b11-5+
InChIKeyRAHXQOCRYJIVQG-VZUCSPMQSA-N
MW202.22 g/mol
LogP1.57
Rot. Bonds2

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

5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol (PubChem CID 135421647) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
PubChem CID135421647
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
SMILESCc1ccc(/C=N/c2ncn[nH]2)c(O)c1
InChIInChI=1S/C10H10N4O/c1-7-2-3-8(9(15)4-7)5-11-10-12-6-13-14-10/h2-6,15H,1H3,(H,12,13,14)/b11-5+
InChIKeyRAHXQOCRYJIVQG-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
Phenol, 4-[(4H-1,2,4-triazol-4-ylimino)methyl]-
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
2-[(E)-(1H-1,2,4-Triazol-5-ylimino)methyl]phenol
CID 135408690
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
2,5-ditert-butyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
CID 156020261
3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenol
CID 5332320
2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol
CID 246394
(E)-2-(((1H-1,2,4-triazol-3-yl)imino)methyl)-6-allylphenol
CID 135449552
(e)-3-[(4h-1,2,4-Triazole-4-ylimino) methyl]benzene-1,2-diol
CID 135676064

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The IUPAC name of 5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol (CID 135421647) is 5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol.
What is the SMILES notation for 5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The canonical SMILES for 5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol is Cc1ccc(/C=N/c2ncn[nH]2)c(O)c1.
What is the InChIKey of 5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
The InChIKey is RAHXQOCRYJIVQG-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7-2-3-8(9(15)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 5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol?
5-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 5-methyl-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol is sourced from PubChem (CID 135421647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).