1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione

C5H7N3O2 — CID 90084384

IUPAC1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione
SMILESC=C1NC(=O)NC(=O)N1C
InChIInChI=1S/C5H7N3O2/c1-3-6-4(9)7-5(10)8(3)2/h1H2,2H3,(H2,6,7,9,10)
InChIKeyFSIDLGQDBZTHLQ-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.18
Rot. Bonds

About 1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione

1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione (PubChem CID 90084384) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione
PubChem CID90084384
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione
SMILESC=C1NC(=O)NC(=O)N1C
InChIInChI=1S/C5H7N3O2/c1-3-6-4(9)7-5(10)8(3)2/h1H2,2H3,(H2,6,7,9,10)
InChIKeyFSIDLGQDBZTHLQ-UHFFFAOYSA-N
XLogP-0.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Bis(ethenyl)-1,3,5-triazinane-2,4,6-trione
CID 139664502
1,3,5-Trimethyl-6-methylidene-1,3,5-triazinane-2,4-dione
CID 12384657
1-Ethenyl-1,3,5-triazinane-2,4,6-trione
CID 23513449
6-Methylidene-1,3,5-triazinane-2,4-dione
CID 59029834
1,3-Dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione
CID 60079434
6-Methylidene-1,3,5-tritritio-1,3,5-triazinane-2,4-dione
CID 60133001
1-Ethyl-6-methylidene-1,3,5-triazinane-2,4-dione
CID 89263428
1,5-Dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione
CID 118066657
1-Ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione
CID 139664501
3-Methyl-6-methylidene-1,3,5-triazinane-2,4-dione
CID 145410786
1,3-Dimethyl-6-methylidene-1,3-diaza-5-azanidacyclohexane-2,4-dione;yttrium
CID 157229001
1,3-Dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one
CID 170253052

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione (CID 90084384) is 1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione is C=C1NC(=O)NC(=O)N1C.
What is the InChIKey of 1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione?
The InChIKey is FSIDLGQDBZTHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-6-4(9)7-5(10)8(3)2/h1H2,2H3,(H2,6,7,9,10).
What are the key properties of 1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione?
1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione has a molecular weight of 141.13 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 90084384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).