2-cyclohexyl-4-methyl-1-oxidotriazolidine

C9H18N3O- — CID 163164466

IUPAC2-cyclohexyl-4-methyl-1-oxidotriazolidine
SMILESCC1CN([O-])N(C2CCCCC2)N1
InChIInChI=1S/C9H18N3O/c1-8-7-11(13)12(10-8)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3/q-1
InChIKeyBXXIBLKMSWDURA-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.24
Rot. Bonds1

About 2-cyclohexyl-4-methyl-1-oxidotriazolidine

2-cyclohexyl-4-methyl-1-oxidotriazolidine (PubChem CID 163164466) has the molecular formula C9H18N3O- and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-cyclohexyl-4-methyl-1-oxidotriazolidine.

Molecular Properties

Compound Name2-cyclohexyl-4-methyl-1-oxidotriazolidine
PubChem CID163164466
Molecular FormulaC9H18N3O-
Molecular Weight184.26 g/mol
Exact Mass184.15
IUPAC Name2-cyclohexyl-4-methyl-1-oxidotriazolidine
SMILESCC1CN([O-])N(C2CCCCC2)N1
InChIInChI=1S/C9H18N3O/c1-8-7-11(13)12(10-8)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3/q-1
InChIKeyBXXIBLKMSWDURA-UHFFFAOYSA-N
XLogP1.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-methyl-1-oxidotriazolidine?
The IUPAC name of 2-cyclohexyl-4-methyl-1-oxidotriazolidine (CID 163164466) is 2-cyclohexyl-4-methyl-1-oxidotriazolidine.
What is the SMILES notation for 2-cyclohexyl-4-methyl-1-oxidotriazolidine?
The canonical SMILES for 2-cyclohexyl-4-methyl-1-oxidotriazolidine is CC1CN([O-])N(C2CCCCC2)N1.
What is the InChIKey of 2-cyclohexyl-4-methyl-1-oxidotriazolidine?
The InChIKey is BXXIBLKMSWDURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N3O/c1-8-7-11(13)12(10-8)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3/q-1.
What are the key properties of 2-cyclohexyl-4-methyl-1-oxidotriazolidine?
2-cyclohexyl-4-methyl-1-oxidotriazolidine has a molecular weight of 184.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-methyl-1-oxidotriazolidine is sourced from PubChem (CID 163164466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).