6-anilino-1H-1,3,5-triazine-2,4-dione

C9H8N4O2 — CID 30399

IUPAC6-anilino-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(Nc2ccccc2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H8N4O2/c14-8-11-7(12-9(15)13-8)10-6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14,15)
InChIKeyVUIKYRBPWMVBKY-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.20
Rot. Bonds2

About 6-anilino-1H-1,3,5-triazine-2,4-dione

6-anilino-1H-1,3,5-triazine-2,4-dione (PubChem CID 30399) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 6-anilino-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-anilino-1H-1,3,5-triazine-2,4-dione
PubChem CID30399
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name6-anilino-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(Nc2ccccc2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H8N4O2/c14-8-11-7(12-9(15)13-8)10-6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14,15)
InChIKeyVUIKYRBPWMVBKY-UHFFFAOYSA-N
XLogP0.20
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Diphenylguanidine
CID 7594
Carbanilide
CID 7595
Phenylurea
CID 6145
1,2,3-Triphenylguanidine
CID 7539
N,N'-Diphenylguanidine monohydrochloride
CID 32260
Diphenylguanidine hydrochloride
CID 520104
6,6-Dimethyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 102185
2-(Methylanilino)-4-pyrimidinol
CID 824717
6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163
N2-phenyl-1,3,5-triazaspiro(5.5)undeca-1,3-diene-2,4-diamine
CID 732268
4,6-Diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine
CID 19931
N-((Phenylamino)carbonyl)acetamide
CID 66877

Frequently Asked Questions

What is the IUPAC name of 6-anilino-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-anilino-1H-1,3,5-triazine-2,4-dione (CID 30399) is 6-anilino-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-anilino-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-anilino-1H-1,3,5-triazine-2,4-dione is O=c1nc(Nc2ccccc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-anilino-1H-1,3,5-triazine-2,4-dione?
The InChIKey is VUIKYRBPWMVBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-8-11-7(12-9(15)13-8)10-6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14,15).
What are the key properties of 6-anilino-1H-1,3,5-triazine-2,4-dione?
6-anilino-1H-1,3,5-triazine-2,4-dione has a molecular weight of 204.19 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 30399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).