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

C10H10N4O — CID 137317833

IUPAC2-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol
SMILESC/C(=N/c1ncn[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)/b13-7-
InChIKeyRHVQLZJSDCDELO-QPEQYQDCSA-N
MW202.22 g/mol
LogP1.65
Rot. Bonds2

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

2-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol (PubChem CID 137317833) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol
PubChem CID137317833
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol
SMILESC/C(=N/c1ncn[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)/b13-7-
InChIKeyRHVQLZJSDCDELO-QPEQYQDCSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol?
The IUPAC name of 2-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol (CID 137317833) is 2-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol.
What is the SMILES notation for 2-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol?
The canonical SMILES for 2-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol is C/C(=N/c1ncn[nH]1)c1ccccc1O.
What is the InChIKey of 2-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol?
The InChIKey is RHVQLZJSDCDELO-QPEQYQDCSA-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)/b13-7-.
What are the key properties of 2-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol?
2-[(Z)-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-[(Z)-C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]phenol is sourced from PubChem (CID 137317833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).