5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine

C13H24N4O2 — CID 79547917

IUPAC5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCOC1CCCCO1
InChIInChI=1S/C13H24N4O2/c1-13(2,3)11-12(14)15-16-17(11)7-9-19-10-6-4-5-8-18-10/h10H,4-9,14H2,1-3H3
InChIKeyVTJXAPXEMPBYPP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.70
Rot. Bonds4

About 5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine

5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine (PubChem CID 79547917) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine
PubChem CID79547917
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCOC1CCCCO1
InChIInChI=1S/C13H24N4O2/c1-13(2,3)11-12(14)15-16-17(11)7-9-19-10-6-4-5-8-18-10/h10H,4-9,14H2,1-3H3
InChIKeyVTJXAPXEMPBYPP-UHFFFAOYSA-N
XLogP1.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine
CID 79547920
methyl 1-[2-(oxan-2-yloxy)ethyl]-5-propan-2-yltriazole-4-carboxylate
CID 102643841
2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878
ethyl 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylate
CID 59984579
5-tert-butyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
CID 79548263
1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
CID 113482722
4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole
CID 66215547
1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 59984584
3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine
CID 86687174
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
2-(4,4-dimethylpentoxy)oxane
CID 59628221
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine (CID 79547917) is 5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine is CC(C)(C)c1c(N)nnn1CCOC1CCCCO1.
What is the InChIKey of 5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine?
The InChIKey is VTJXAPXEMPBYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-13(2,3)11-12(14)15-16-17(11)7-9-19-10-6-4-5-8-18-10/h10H,4-9,14H2,1-3H3.
What are the key properties of 5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine?
5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine has a molecular weight of 268.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine is sourced from PubChem (CID 79547917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).