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

C10H10N4O — CID 3638940

IUPAC4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol
SMILESCc1ccc(O)c(C=Nc2ncn[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)
InChIKeyRPFYFMWGFUIYDI-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.57
Rot. Bonds2

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

4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol (PubChem CID 3638940) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol.

Molecular Properties

Compound Name4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol
PubChem CID3638940
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol
SMILESCc1ccc(O)c(C=Nc2ncn[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)
InChIKeyRPFYFMWGFUIYDI-UHFFFAOYSA-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-[(E)-1H-1,2,4-triazol-5-yliminomethyl]benzene-1,2-diol
CID 135699033
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
2-(3H-benzimidazol-5-yliminomethyl)-4-methylphenol
CID 135988522
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
(Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 5391184
2-[(E)-methoxyiminomethyl]-4-methylphenol
CID 137270598
2-nitro-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
CID 135615334
2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol
CID 4191930
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 869448
3-(1H-1,2,4-triazol-5-yliminomethyl)-2-benzofuran-1-ol
CID 3263597

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
The IUPAC name of 4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol (CID 3638940) is 4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol.
What is the SMILES notation for 4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
The canonical SMILES for 4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol is Cc1ccc(O)c(C=Nc2ncn[nH]2)c1.
What is the InChIKey of 4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
The InChIKey is RPFYFMWGFUIYDI-UHFFFAOYSA-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).
What are the key properties of 4-methyl-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
4-methyl-2-(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-(1H-1,2,4-triazol-5-yliminomethyl)phenol is sourced from PubChem (CID 3638940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).