6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione

C7H11N3O2 — CID 58331465

IUPAC6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione
SMILESC=C1NC(=O)NC(=O)N1C(C)C
InChIInChI=1S/C7H11N3O2/c1-4(2)10-5(3)8-6(11)9-7(10)12/h4H,3H2,1-2H3,(H2,8,9,11,12)
InChIKeyVEGGRULRPPMJDD-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.60
Rot. Bonds1

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

6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione (PubChem CID 58331465) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione
PubChem CID58331465
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione
SMILESC=C1NC(=O)NC(=O)N1C(C)C
InChIInChI=1S/C7H11N3O2/c1-4(2)10-5(3)8-6(11)9-7(10)12/h4H,3H2,1-2H3,(H2,8,9,11,12)
InChIKeyVEGGRULRPPMJDD-UHFFFAOYSA-N
XLogP0.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione (CID 58331465) is 6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione is C=C1NC(=O)NC(=O)N1C(C)C.
What is the InChIKey of 6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione?
The InChIKey is VEGGRULRPPMJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(2)10-5(3)8-6(11)9-7(10)12/h4H,3H2,1-2H3,(H2,8,9,11,12).
What are the key properties of 6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione?
6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 58331465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).