1,5-ditert-butyltriazol-4-amine

C10H20N4 — CID 103482213

IUPAC1,5-ditert-butyltriazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1C(C)(C)C
InChIInChI=1S/C10H20N4/c1-9(2,3)7-8(11)12-13-14(7)10(4,5)6/h11H2,1-6H3
InChIKeyXEXFFVRTNNBYAC-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.91
Rot. Bonds

About 1,5-ditert-butyltriazol-4-amine

1,5-ditert-butyltriazol-4-amine (PubChem CID 103482213) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1,5-ditert-butyltriazol-4-amine.

Molecular Properties

Compound Name1,5-ditert-butyltriazol-4-amine
PubChem CID103482213
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1,5-ditert-butyltriazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1C(C)(C)C
InChIInChI=1S/C10H20N4/c1-9(2,3)7-8(11)12-13-14(7)10(4,5)6/h11H2,1-6H3
InChIKeyXEXFFVRTNNBYAC-UHFFFAOYSA-N
XLogP1.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-ditert-butyl-4-methyltriazole
CID 122599579
1,5-ditert-butyltriazole-4-carboxylic acid
CID 103482127
5-tert-butyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
CID 79548263
5-tert-butyl-1-(4-iodophenyl)triazol-4-amine
CID 79501040
5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine
CID 79547920
5-tert-butyl-1-(3-ethylsulfonylpropyl)triazol-4-amine
CID 79548259
5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine
CID 104568872
1,4-ditert-butyl-5-chlorotriazole
CID 126749913
5-tert-butyl-1-[2-(trifluoromethyl)phenyl]triazol-4-amine
CID 79507637
5-tert-butyl-1-(4-fluoro-2-methylphenyl)triazol-4-amine
CID 79502838
5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine
CID 79542874
5-tert-butyl-1-(4-chloro-2-methylphenyl)triazol-4-amine
CID 79507434

Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butyltriazol-4-amine?
The IUPAC name of 1,5-ditert-butyltriazol-4-amine (CID 103482213) is 1,5-ditert-butyltriazol-4-amine.
What is the SMILES notation for 1,5-ditert-butyltriazol-4-amine?
The canonical SMILES for 1,5-ditert-butyltriazol-4-amine is CC(C)(C)c1c(N)nnn1C(C)(C)C.
What is the InChIKey of 1,5-ditert-butyltriazol-4-amine?
The InChIKey is XEXFFVRTNNBYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(2,3)7-8(11)12-13-14(7)10(4,5)6/h11H2,1-6H3.
What are the key properties of 1,5-ditert-butyltriazol-4-amine?
1,5-ditert-butyltriazol-4-amine has a molecular weight of 196.30 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butyltriazol-4-amine is sourced from PubChem (CID 103482213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).