ethane;2-methylidene-1,3,5-triazinane

C6H15N3 — CID 91247448

IUPACethane;2-methylidene-1,3,5-triazinane
SMILESC=C1NCNCN1.CC
InChIInChI=1S/C4H9N3.C2H6/c1-4-6-2-5-3-7-4;1-2/h5-7H,1-3H2;1-2H3
InChIKeyPBBOCRKETYVQJK-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.18
Rot. Bonds

About ethane;2-methylidene-1,3,5-triazinane

ethane;2-methylidene-1,3,5-triazinane (PubChem CID 91247448) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is ethane;2-methylidene-1,3,5-triazinane.

Molecular Properties

Compound Nameethane;2-methylidene-1,3,5-triazinane
PubChem CID91247448
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Nameethane;2-methylidene-1,3,5-triazinane
SMILESC=C1NCNCN1.CC
InChIInChI=1S/C4H9N3.C2H6/c1-4-6-2-5-3-7-4;1-2/h5-7H,1-3H2;1-2H3
InChIKeyPBBOCRKETYVQJK-UHFFFAOYSA-N
XLogP0.18
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-1,3,5-triazinane?
The IUPAC name of ethane;2-methylidene-1,3,5-triazinane (CID 91247448) is ethane;2-methylidene-1,3,5-triazinane.
What is the SMILES notation for ethane;2-methylidene-1,3,5-triazinane?
The canonical SMILES for ethane;2-methylidene-1,3,5-triazinane is C=C1NCNCN1.CC.
What is the InChIKey of ethane;2-methylidene-1,3,5-triazinane?
The InChIKey is PBBOCRKETYVQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3.C2H6/c1-4-6-2-5-3-7-4;1-2/h5-7H,1-3H2;1-2H3.
What are the key properties of ethane;2-methylidene-1,3,5-triazinane?
ethane;2-methylidene-1,3,5-triazinane has a molecular weight of 129.21 g/mol, XLogP of 0.18, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-1,3,5-triazinane is sourced from PubChem (CID 91247448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).