2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol

C10H10N4O — CID 137279451

IUPAC2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol
SMILESCC(=Nc1ncn[nH]1)c1ccccc1O
InChIInChI=1S/C10H10N4O/c1-7(13-10-11-6-12-14-10)8-4-2-3-5-9(8)15/h2-6,15H,1H3,(H,11,12,14)
InChIKeyRHVQLZJSDCDELO-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.65
Rot. Bonds2

About 2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol

2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol (PubChem CID 137279451) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol.

Molecular Properties

Compound Name2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol
PubChem CID137279451
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol
SMILESCC(=Nc1ncn[nH]1)c1ccccc1O
InChIInChI=1S/C10H10N4O/c1-7(13-10-11-6-12-14-10)8-4-2-3-5-9(8)15/h2-6,15H,1H3,(H,11,12,14)
InChIKeyRHVQLZJSDCDELO-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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
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-[(4H-1,2,4-triazol-4-ylamino)methyl]phenol
CID 661455
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
4-chloro-2-[(Z)-1H-1,2,4-triazol-5-yliminomethyl]phenol
CID 156013556
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
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 135411239
4-bromo-2-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
CID 135458836
4-[(1E)-N-(4H-1,2,4-triazol-1-ium-4-yl)ethanimidoyl]phenolate
CID 135630246

Frequently Asked Questions

What is the IUPAC name of 2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol?
The IUPAC name of 2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol (CID 137279451) is 2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol.
What is the SMILES notation for 2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol?
The canonical SMILES for 2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol is CC(=Nc1ncn[nH]1)c1ccccc1O.
What is the InChIKey of 2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol?
The InChIKey is RHVQLZJSDCDELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7(13-10-11-6-12-14-10)8-4-2-3-5-9(8)15/h2-6,15H,1H3,(H,11,12,14).
What are the key properties of 2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol?
2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol has a molecular weight of 202.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol is sourced from PubChem (CID 137279451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).