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

C10H10N4O — CID 135630246

IUPAC4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol
SMILESC/C(=N\n1cnnc1)c1ccc(O)cc1
InChIInChI=1S/C10H10N4O/c1-8(13-14-6-11-12-7-14)9-2-4-10(15)5-3-9/h2-7,15H,1H3/b13-8+
InChIKeyNIMAFFJOGSTDPK-MDWZMJQESA-N
MW202.22 g/mol
LogP1.26
Rot. Bonds2

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

4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol (PubChem CID 135630246) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol
PubChem CID135630246
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol
SMILESC/C(=N\n1cnnc1)c1ccc(O)cc1
InChIInChI=1S/C10H10N4O/c1-8(13-14-6-11-12-7-14)9-2-4-10(15)5-3-9/h2-7,15H,1H3/b13-8+
InChIKeyNIMAFFJOGSTDPK-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_B(215)', 'substructure': 'N/A'}, {'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
4-[(4H-1,2,4-triazol-4-ylimino)methyl]benzenol
CID 135400472
2-(prop-2-en-1-yl)-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenol
CID 135449590
4-[(E)-(1H-1,2,4-triazol-1-ylimino)methyl]benzene-1,2-diol
CID 135684986
2-[(E)-(1H-1,2,4-Triazol-5-ylimino)methyl]phenol
CID 135408690
4-[(3,5-Dimethyl-[1,2,4]triazol-4-ylimino)-methyl]-phenol
CID 135457669
N-[(1Z)-1-(4-methoxyphenyl)ethylidene]-4H-1,2,4-triazol-4-amine
CID 5933759
4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]benzene-1,3-diol
CID 135400284
4-(((4H-1,2,4-Triazol-4-yl)imino)methyl)benzene-1,2-diol
CID 135549934
2-[(E)-1,2,4-triazol-4-yliminomethyl]benzene-1,4-diol
CID 139202207

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol?
The IUPAC name of 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol (CID 135630246) is 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol is C/C(=N\n1cnnc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol?
The InChIKey is NIMAFFJOGSTDPK-MDWZMJQESA-N. The full InChI is InChI=1S/C10H10N4O/c1-8(13-14-6-11-12-7-14)9-2-4-10(15)5-3-9/h2-7,15H,1H3/b13-8+.
What are the key properties of 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol?
4-[(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 4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]phenol is sourced from PubChem (CID 135630246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).