bis(1,4-ditert-butyltriazole);methane

C21H42N6 — CID 158842263

IUPACbis(1,4-ditert-butyltriazole);methane
SMILESC.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cn(C(C)(C)C)nn1
InChIInChI=1S/2C10H19N3.CH4/c2*1-9(2,3)8-7-13(12-11-8)10(4,5)6;/h2*7H,1-6H3;1H4
InChIKeyIYJULPPVQJGGSG-UHFFFAOYSA-N
MW378.61 g/mol
LogP5.30
Rot. Bonds

About bis(1,4-ditert-butyltriazole);methane

bis(1,4-ditert-butyltriazole);methane (PubChem CID 158842263) has the molecular formula C21H42N6 and a molecular weight of 378.61 g/mol. Its IUPAC name is bis(1,4-ditert-butyltriazole);methane.

Molecular Properties

Compound Namebis(1,4-ditert-butyltriazole);methane
PubChem CID158842263
Molecular FormulaC21H42N6
Molecular Weight378.61 g/mol
Exact Mass378.35
IUPAC Namebis(1,4-ditert-butyltriazole);methane
SMILESC.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cn(C(C)(C)C)nn1
InChIInChI=1S/2C10H19N3.CH4/c2*1-9(2,3)8-7-13(12-11-8)10(4,5)6;/h2*7H,1-6H3;1H4
InChIKeyIYJULPPVQJGGSG-UHFFFAOYSA-N
XLogP5.30
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.61
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-ditert-butyltetrazole;bis(1,4-ditert-butyltriazole)
CID 158597391
2-(4-tert-butyltriazol-1-yl)propane-2-thiol
CID 170097807
1-tert-butyl-4-(2-methylpentan-2-yl)triazole
CID 123716234
4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole
CID 138581008
1-tert-butyl-4-(3-methylheptan-3-yl)triazole
CID 139427991
(1-tert-butyltriazol-4-yl)-trimethylsilane
CID 15802956
1,5-ditert-butyltetrazole;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;1,5-ditert-butyltriazole;methane
CID 158906536
carbanide;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,2-dimethylpropane;2-methylpropane;tungsten(2+)
CID 159321925
4-tert-butyl-1-(3,3-dimethylbutyl)triazole
CID 90801752
4-tert-butyl-1-(4-tert-butylphenyl)triazole
CID 162480796
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314

Frequently Asked Questions

What is the IUPAC name of bis(1,4-ditert-butyltriazole);methane?
The IUPAC name of bis(1,4-ditert-butyltriazole);methane (CID 158842263) is bis(1,4-ditert-butyltriazole);methane.
What is the SMILES notation for bis(1,4-ditert-butyltriazole);methane?
The canonical SMILES for bis(1,4-ditert-butyltriazole);methane is C.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cn(C(C)(C)C)nn1.
What is the InChIKey of bis(1,4-ditert-butyltriazole);methane?
The InChIKey is IYJULPPVQJGGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N3.CH4/c2*1-9(2,3)8-7-13(12-11-8)10(4,5)6;/h2*7H,1-6H3;1H4.
What are the key properties of bis(1,4-ditert-butyltriazole);methane?
bis(1,4-ditert-butyltriazole);methane has a molecular weight of 378.61 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-ditert-butyltriazole);methane is sourced from PubChem (CID 158842263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).