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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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).