4,5-ditert-butyl-2,3-dihydro-1H-triazole

C10H21N3 — CID 142489150

IUPAC4,5-ditert-butyl-2,3-dihydro-1H-triazole
SMILESCC(C)(C)C1=C(C(C)(C)C)NNN1
InChIInChI=1S/C10H21N3/c1-9(2,3)7-8(10(4,5)6)12-13-11-7/h11-13H,1-6H3
InChIKeyZQQWWDSMNBKQJF-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.90
Rot. Bonds

About 4,5-ditert-butyl-2,3-dihydro-1H-triazole

4,5-ditert-butyl-2,3-dihydro-1H-triazole (PubChem CID 142489150) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 4,5-ditert-butyl-2,3-dihydro-1H-triazole.

Molecular Properties

Compound Name4,5-ditert-butyl-2,3-dihydro-1H-triazole
PubChem CID142489150
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name4,5-ditert-butyl-2,3-dihydro-1H-triazole
SMILESCC(C)(C)C1=C(C(C)(C)C)NNN1
InChIInChI=1S/C10H21N3/c1-9(2,3)7-8(10(4,5)6)12-13-11-7/h11-13H,1-6H3
InChIKeyZQQWWDSMNBKQJF-UHFFFAOYSA-N
XLogP1.90
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride
CID 173108119
2-tert-butyl-5-(trifluoromethyl)-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2,3-dihydro-1H-triazole?
The IUPAC name of 4,5-ditert-butyl-2,3-dihydro-1H-triazole (CID 142489150) is 4,5-ditert-butyl-2,3-dihydro-1H-triazole.
What is the SMILES notation for 4,5-ditert-butyl-2,3-dihydro-1H-triazole?
The canonical SMILES for 4,5-ditert-butyl-2,3-dihydro-1H-triazole is CC(C)(C)C1=C(C(C)(C)C)NNN1.
What is the InChIKey of 4,5-ditert-butyl-2,3-dihydro-1H-triazole?
The InChIKey is ZQQWWDSMNBKQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-9(2,3)7-8(10(4,5)6)12-13-11-7/h11-13H,1-6H3.
What are the key properties of 4,5-ditert-butyl-2,3-dihydro-1H-triazole?
4,5-ditert-butyl-2,3-dihydro-1H-triazole has a molecular weight of 183.30 g/mol, XLogP of 1.90, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2,3-dihydro-1H-triazole is sourced from PubChem (CID 142489150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).