6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one

C6H4N6O — CID 57025263

IUPAC6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one
SMILESO=c1ncnc(-c2ncncn2)[nH]1
InChIInChI=1S/C6H4N6O/c13-6-11-3-10-5(12-6)4-8-1-7-2-9-4/h1-3H,(H,10,11,12,13)
InChIKeyXLOOEGCMPAYAID-UHFFFAOYSA-N
MW176.14 g/mol
LogP-0.98
Rot. Bonds1

About 6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one

6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one (PubChem CID 57025263) has the molecular formula C6H4N6O and a molecular weight of 176.14 g/mol. Its IUPAC name is 6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one
PubChem CID57025263
Molecular FormulaC6H4N6O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one
SMILESO=c1ncnc(-c2ncncn2)[nH]1
InChIInChI=1S/C6H4N6O/c13-6-11-3-10-5(12-6)4-8-1-7-2-9-4/h1-3H,(H,10,11,12,13)
InChIKeyXLOOEGCMPAYAID-UHFFFAOYSA-N
XLogP-0.98
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2-carboxamide
CID 54264822
1,3,5-Triazine-2-carboximidamide
CID 18358921
N-(4-Methyl-1,3,5-triazin-2-yl)urea
CID 23030699
N-(1,3,5-triazin-2-ylmethyl)formamide
CID 87925039
2-(1,4-Dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine
CID 89329930
6-chloro-4-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one
CID 136123978
2-(Isocyanatomethyl)-1,3,5-triazine
CID 169296825

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one (CID 57025263) is 6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one is O=c1ncnc(-c2ncncn2)[nH]1.
What is the InChIKey of 6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one?
The InChIKey is XLOOEGCMPAYAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6O/c13-6-11-3-10-5(12-6)4-8-1-7-2-9-4/h1-3H,(H,10,11,12,13).
What are the key properties of 6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one?
6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one has a molecular weight of 176.14 g/mol, XLogP of -0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 57025263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).