1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine

C6H13N3 — CID 18338501

IUPAC1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine
SMILESC=C1N(C)CN(C)N1C
InChIInChI=1S/C6H13N3/c1-6-7(2)5-8(3)9(6)4/h1,5H2,2-4H3
InChIKeyWVRIGEAQLCBZOD-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.14
Rot. Bonds

About 1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine

1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine (PubChem CID 18338501) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine.

Molecular Properties

Compound Name1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine
PubChem CID18338501
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine
SMILESC=C1N(C)CN(C)N1C
InChIInChI=1S/C6H13N3/c1-6-7(2)5-8(3)9(6)4/h1,5H2,2-4H3
InChIKeyWVRIGEAQLCBZOD-UHFFFAOYSA-N
XLogP0.14
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine?
The IUPAC name of 1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine (CID 18338501) is 1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine.
What is the SMILES notation for 1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine?
The canonical SMILES for 1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine is C=C1N(C)CN(C)N1C.
What is the InChIKey of 1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine?
The InChIKey is WVRIGEAQLCBZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-6-7(2)5-8(3)9(6)4/h1,5H2,2-4H3.
What are the key properties of 1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine?
1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine has a molecular weight of 127.19 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-3-methylidene-1,2,4-triazolidine is sourced from PubChem (CID 18338501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).