1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine

C7H13N3 — CID 18717182

IUPAC1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine
SMILESC=C1N(C)C(=C)N(C)N1C
InChIInChI=1S/C7H13N3/c1-6-8(3)7(2)10(5)9(6)4/h1-2H2,3-5H3
InChIKeyIRCJOIRMPBSEIL-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.65
Rot. Bonds

About 1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine

1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine (PubChem CID 18717182) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine.

Molecular Properties

Compound Name1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine
PubChem CID18717182
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine
SMILESC=C1N(C)C(=C)N(C)N1C
InChIInChI=1S/C7H13N3/c1-6-8(3)7(2)10(5)9(6)4/h1-2H2,3-5H3
InChIKeyIRCJOIRMPBSEIL-UHFFFAOYSA-N
XLogP0.65
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.65
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-3,5-dimethylidene-1,2,4-triazolidine?
The IUPAC name of 1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine (CID 18717182) is 1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine.
What is the SMILES notation for 1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine?
The canonical SMILES for 1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine is C=C1N(C)C(=C)N(C)N1C.
What is the InChIKey of 1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine?
The InChIKey is IRCJOIRMPBSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-8(3)7(2)10(5)9(6)4/h1-2H2,3-5H3.
What are the key properties of 1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine?
1,2,4-trimethyl-3,5-dimethylidene-1,2,4-triazolidine has a molecular weight of 139.20 g/mol, XLogP of 0.65, 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-3,5-dimethylidene-1,2,4-triazolidine is sourced from PubChem (CID 18717182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).