6-pyridin-4-yl-1H-1,3,5-triazin-2-one

C8H6N4O — CID 67183283

IUPAC6-pyridin-4-yl-1H-1,3,5-triazin-2-one
SMILESO=c1ncnc(-c2ccncc2)[nH]1
InChIInChI=1S/C8H6N4O/c13-8-11-5-10-7(12-8)6-1-3-9-4-2-6/h1-5H,(H,10,11,12,13)
InChIKeyDJOZERVYJRXMMT-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.23
Rot. Bonds1

About 6-pyridin-4-yl-1H-1,3,5-triazin-2-one

6-pyridin-4-yl-1H-1,3,5-triazin-2-one (PubChem CID 67183283) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 6-pyridin-4-yl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-pyridin-4-yl-1H-1,3,5-triazin-2-one
PubChem CID67183283
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name6-pyridin-4-yl-1H-1,3,5-triazin-2-one
SMILESO=c1ncnc(-c2ccncc2)[nH]1
InChIInChI=1S/C8H6N4O/c13-8-11-5-10-7(12-8)6-1-3-9-4-2-6/h1-5H,(H,10,11,12,13)
InChIKeyDJOZERVYJRXMMT-UHFFFAOYSA-N
XLogP0.23
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-pyridin-4-yl-1H-1,3,5-triazin-2-one (CID 67183283) is 6-pyridin-4-yl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-pyridin-4-yl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-pyridin-4-yl-1H-1,3,5-triazin-2-one is O=c1ncnc(-c2ccncc2)[nH]1.
What is the InChIKey of 6-pyridin-4-yl-1H-1,3,5-triazin-2-one?
The InChIKey is DJOZERVYJRXMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c13-8-11-5-10-7(12-8)6-1-3-9-4-2-6/h1-5H,(H,10,11,12,13).
What are the key properties of 6-pyridin-4-yl-1H-1,3,5-triazin-2-one?
6-pyridin-4-yl-1H-1,3,5-triazin-2-one has a molecular weight of 174.16 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 67183283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).