4,6-diamino-5-phenyl-1,3,5-triazin-2-one

C9H9N5O — CID 71395620

IUPAC4,6-diamino-5-phenyl-1,3,5-triazin-2-one
SMILESNc1nc(=O)nc(N)n1-c1ccccc1
InChIInChI=1S/C9H9N5O/c10-7-12-9(15)13-8(11)14(7)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,15)
InChIKeyBDQLWGZBSRWGPL-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.21
Rot. Bonds1

About 4,6-diamino-5-phenyl-1,3,5-triazin-2-one

4,6-diamino-5-phenyl-1,3,5-triazin-2-one (PubChem CID 71395620) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 4,6-diamino-5-phenyl-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4,6-diamino-5-phenyl-1,3,5-triazin-2-one
PubChem CID71395620
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name4,6-diamino-5-phenyl-1,3,5-triazin-2-one
SMILESNc1nc(=O)nc(N)n1-c1ccccc1
InChIInChI=1S/C9H9N5O/c10-7-12-9(15)13-8(11)14(7)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,15)
InChIKeyBDQLWGZBSRWGPL-UHFFFAOYSA-N
XLogP-0.21
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-phenylbenzimidazol-4-ol
CID 84790043
3-amino-1-phenylquinoxalin-2-one
CID 19045865
(4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide
CID 71395619
5-amino-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 79006248
1,3-diphenylbenzimidazol-2-one
CID 22323486
2-amino-7-hydroxy-1-phenyl-9H-purine-6,8-dione
CID 18792589
5-amino-1-phenylquinolin-2-one
CID 90152622
6-amino-1-phenylpyrimidin-2-one
CID 18444834
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine
CID 138721906
5,6-dimethoxy-1-phenylbenzimidazol-2-amine
CID 83008746

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-5-phenyl-1,3,5-triazin-2-one?
The IUPAC name of 4,6-diamino-5-phenyl-1,3,5-triazin-2-one (CID 71395620) is 4,6-diamino-5-phenyl-1,3,5-triazin-2-one.
What is the SMILES notation for 4,6-diamino-5-phenyl-1,3,5-triazin-2-one?
The canonical SMILES for 4,6-diamino-5-phenyl-1,3,5-triazin-2-one is Nc1nc(=O)nc(N)n1-c1ccccc1.
What is the InChIKey of 4,6-diamino-5-phenyl-1,3,5-triazin-2-one?
The InChIKey is BDQLWGZBSRWGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-7-12-9(15)13-8(11)14(7)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,15).
What are the key properties of 4,6-diamino-5-phenyl-1,3,5-triazin-2-one?
4,6-diamino-5-phenyl-1,3,5-triazin-2-one has a molecular weight of 203.21 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-5-phenyl-1,3,5-triazin-2-one is sourced from PubChem (CID 71395620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).