phenol;1,2,4-triazine

C9H9N3O — CID 174940073

IUPACphenol;1,2,4-triazine
SMILESOc1ccccc1.c1cnncn1
InChIInChI=1S/C6H6O.C3H3N3/c7-6-4-2-1-3-5-6;1-2-5-6-3-4-1/h1-5,7H;1-3H
InChIKeyODTCPYBPPAAZKY-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.26
Rot. Bonds

About phenol;1,2,4-triazine

phenol;1,2,4-triazine (PubChem CID 174940073) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is phenol;1,2,4-triazine.

Molecular Properties

Compound Namephenol;1,2,4-triazine
PubChem CID174940073
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Namephenol;1,2,4-triazine
SMILESOc1ccccc1.c1cnncn1
InChIInChI=1S/C6H6O.C3H3N3/c7-6-4-2-1-3-5-6;1-2-5-6-3-4-1/h1-5,7H;1-3H
InChIKeyODTCPYBPPAAZKY-UHFFFAOYSA-N
XLogP1.26
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenol;1,2,4-triazine?
The IUPAC name of phenol;1,2,4-triazine (CID 174940073) is phenol;1,2,4-triazine.
What is the SMILES notation for phenol;1,2,4-triazine?
The canonical SMILES for phenol;1,2,4-triazine is Oc1ccccc1.c1cnncn1.
What is the InChIKey of phenol;1,2,4-triazine?
The InChIKey is ODTCPYBPPAAZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C3H3N3/c7-6-4-2-1-3-5-6;1-2-5-6-3-4-1/h1-5,7H;1-3H.
What are the key properties of phenol;1,2,4-triazine?
phenol;1,2,4-triazine has a molecular weight of 175.19 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;1,2,4-triazine is sourced from PubChem (CID 174940073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).