phenyl(triazin-4-yl)methanone

C10H7N3O — CID 154156842

IUPACphenyl(triazin-4-yl)methanone
SMILESO=C(c1ccccc1)c1ccnnn1
InChIInChI=1S/C10H7N3O/c14-10(8-4-2-1-3-5-8)9-6-7-11-13-12-9/h1-7H
InChIKeyAGXQKDFLEWFWOO-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.10
Rot. Bonds2

About phenyl(triazin-4-yl)methanone

phenyl(triazin-4-yl)methanone (PubChem CID 154156842) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is phenyl(triazin-4-yl)methanone.

Molecular Properties

Compound Namephenyl(triazin-4-yl)methanone
PubChem CID154156842
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Namephenyl(triazin-4-yl)methanone
SMILESO=C(c1ccccc1)c1ccnnn1
InChIInChI=1S/C10H7N3O/c14-10(8-4-2-1-3-5-8)9-6-7-11-13-12-9/h1-7H
InChIKeyAGXQKDFLEWFWOO-UHFFFAOYSA-N
XLogP1.10
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl(triazin-4-yl)methanone?
The IUPAC name of phenyl(triazin-4-yl)methanone (CID 154156842) is phenyl(triazin-4-yl)methanone.
What is the SMILES notation for phenyl(triazin-4-yl)methanone?
The canonical SMILES for phenyl(triazin-4-yl)methanone is O=C(c1ccccc1)c1ccnnn1.
What is the InChIKey of phenyl(triazin-4-yl)methanone?
The InChIKey is AGXQKDFLEWFWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c14-10(8-4-2-1-3-5-8)9-6-7-11-13-12-9/h1-7H.
What are the key properties of phenyl(triazin-4-yl)methanone?
phenyl(triazin-4-yl)methanone has a molecular weight of 185.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(triazin-4-yl)methanone is sourced from PubChem (CID 154156842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).