3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine

C8H19N3 — CID 123518736

IUPAC3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine
SMILESCC(C)CCC1NNC(C)N1
InChIInChI=1S/C8H19N3/c1-6(2)4-5-8-9-7(3)10-11-8/h6-11H,4-5H2,1-3H3
InChIKeyWDMNXBFXYPEYIJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.79
Rot. Bonds3

About 3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine

3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine (PubChem CID 123518736) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine.

Molecular Properties

Compound Name3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine
PubChem CID123518736
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine
SMILESCC(C)CCC1NNC(C)N1
InChIInChI=1S/C8H19N3/c1-6(2)4-5-8-9-7(3)10-11-8/h6-11H,4-5H2,1-3H3
InChIKeyWDMNXBFXYPEYIJ-UHFFFAOYSA-N
XLogP0.79
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine?
The IUPAC name of 3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine (CID 123518736) is 3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine.
What is the SMILES notation for 3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine?
The canonical SMILES for 3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine is CC(C)CCC1NNC(C)N1.
What is the InChIKey of 3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine?
The InChIKey is WDMNXBFXYPEYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-6(2)4-5-8-9-7(3)10-11-8/h6-11H,4-5H2,1-3H3.
What are the key properties of 3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine?
3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine has a molecular weight of 157.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylbutyl)-1,2,4-triazolidine is sourced from PubChem (CID 123518736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).