3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol

C9H8N4O — CID 175430177

IUPAC3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol
SMILES[H]/N=C/c1cccc(O)c1-c1ncn[nH]1
InChIInChI=1S/C9H8N4O/c10-4-6-2-1-3-7(14)8(6)9-11-5-12-13-9/h1-5,10,14H,(H,11,12,13)/b10-4+
InChIKeyNVHZDZFODFRSPP-ONNFQVAWSA-N
MW188.19 g/mol
LogP1.17
Rot. Bonds2

About 3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol

3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol (PubChem CID 175430177) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol.

Molecular Properties

Compound Name3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol
PubChem CID175430177
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol
SMILES[H]/N=C/c1cccc(O)c1-c1ncn[nH]1
InChIInChI=1S/C9H8N4O/c10-4-6-2-1-3-7(14)8(6)9-11-5-12-13-9/h1-5,10,14H,(H,11,12,13)/b10-4+
InChIKeyNVHZDZFODFRSPP-ONNFQVAWSA-N
XLogP1.17
TPSA85.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.17
H-Bond Donors ≤ 53
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 3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol?
The IUPAC name of 3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol (CID 175430177) is 3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol.
What is the SMILES notation for 3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol?
The canonical SMILES for 3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol is [H]/N=C/c1cccc(O)c1-c1ncn[nH]1.
What is the InChIKey of 3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol?
The InChIKey is NVHZDZFODFRSPP-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H8N4O/c10-4-6-2-1-3-7(14)8(6)9-11-5-12-13-9/h1-5,10,14H,(H,11,12,13)/b10-4+.
What are the key properties of 3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol?
3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol has a molecular weight of 188.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-2-(1H-1,2,4-triazol-5-yl)phenol is sourced from PubChem (CID 175430177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).