2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol

C10H10N4O — CID 135641165

IUPAC2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol
SMILESC/C(=N\n1cnnc1)c1ccccc1O
InChIInChI=1S/C10H10N4O/c1-8(13-14-6-11-12-7-14)9-4-2-3-5-10(9)15/h2-7,15H,1H3/b13-8+
InChIKeyJDFACINZBUFURC-MDWZMJQESA-N
MW202.22 g/mol
LogP1.26
Rot. Bonds2

About 2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol

2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol (PubChem CID 135641165) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol
PubChem CID135641165
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol
SMILESC/C(=N\n1cnnc1)c1ccccc1O
InChIInChI=1S/C10H10N4O/c1-8(13-14-6-11-12-7-14)9-4-2-3-5-10(9)15/h2-7,15H,1H3/b13-8+
InChIKeyJDFACINZBUFURC-MDWZMJQESA-N
XLogP1.26
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol?
The IUPAC name of 2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol (CID 135641165) is 2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol is C/C(=N\n1cnnc1)c1ccccc1O.
What is the InChIKey of 2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol?
The InChIKey is JDFACINZBUFURC-MDWZMJQESA-N. The full InChI is InChI=1S/C10H10N4O/c1-8(13-14-6-11-12-7-14)9-4-2-3-5-10(9)15/h2-7,15H,1H3/b13-8+.
What are the key properties of 2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol?
2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol has a molecular weight of 202.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol is sourced from PubChem (CID 135641165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).