4,5-ditert-butyltriazolidine

C10H23N3 — CID 140612842

IUPAC4,5-ditert-butyltriazolidine
SMILESCC(C)(C)C1NNNC1C(C)(C)C
InChIInChI=1S/C10H23N3/c1-9(2,3)7-8(10(4,5)6)12-13-11-7/h7-8,11-13H,1-6H3
InChIKeyCJSNWVXTPOITBT-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.43
Rot. Bonds

About 4,5-ditert-butyltriazolidine

4,5-ditert-butyltriazolidine (PubChem CID 140612842) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 4,5-ditert-butyltriazolidine.

Molecular Properties

Compound Name4,5-ditert-butyltriazolidine
PubChem CID140612842
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name4,5-ditert-butyltriazolidine
SMILESCC(C)(C)C1NNNC1C(C)(C)C
InChIInChI=1S/C10H23N3/c1-9(2,3)7-8(10(4,5)6)12-13-11-7/h7-8,11-13H,1-6H3
InChIKeyCJSNWVXTPOITBT-UHFFFAOYSA-N
XLogP1.43
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-tert-butyl-3-phenylaziridine
CID 164511262
2-tert-butyl-3-methylpiperazine
CID 116829179
1,2,3-tritert-butylpiperazine
CID 166024715
6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 153432381
3-tert-butyl-2-azabicyclo[2.2.2]octane
CID 164756477
5-tert-butyl-1,3-diazinane
CID 153432359
(2S,3S)-2-tert-butylpyrrolidin-3-ol
CID 96636706
1,2,3,4-tetratert-butylcyclobutane
CID 164732302
CID 100975737
CID 100975737
(4R,5S)-4-tert-butyl-5-methyloxathiazolidine 2,2-dioxide
CID 166437201
2-tert-butyl-3-(trifluoromethyl)pyrrolidine
CID 176601473
3,5-bis(3-methylpentan-3-yl)pyrazolidine
CID 140634581

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyltriazolidine?
The IUPAC name of 4,5-ditert-butyltriazolidine (CID 140612842) is 4,5-ditert-butyltriazolidine.
What is the SMILES notation for 4,5-ditert-butyltriazolidine?
The canonical SMILES for 4,5-ditert-butyltriazolidine is CC(C)(C)C1NNNC1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyltriazolidine?
The InChIKey is CJSNWVXTPOITBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-9(2,3)7-8(10(4,5)6)12-13-11-7/h7-8,11-13H,1-6H3.
What are the key properties of 4,5-ditert-butyltriazolidine?
4,5-ditert-butyltriazolidine has a molecular weight of 185.31 g/mol, XLogP of 1.43, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyltriazolidine is sourced from PubChem (CID 140612842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).