5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine

C12H22N4O — CID 79547485

IUPAC5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCC1CCCO1
InChIInChI=1S/C12H22N4O/c1-12(2,3)10-11(13)14-15-16(10)7-6-9-5-4-8-17-9/h9H,4-8,13H2,1-3H3
InChIKeyCVHKAGXYUCRCJS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.73
Rot. Bonds3

About 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine

5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine (PubChem CID 79547485) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine
PubChem CID79547485
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCC1CCCO1
InChIInChI=1S/C12H22N4O/c1-12(2,3)10-11(13)14-15-16(10)7-6-9-5-4-8-17-9/h9H,4-8,13H2,1-3H3
InChIKeyCVHKAGXYUCRCJS-UHFFFAOYSA-N
XLogP1.73
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine
CID 79547917
ethyl 5-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]triazole-4-carboxylate
CID 103109155
1-[3-(oxolan-2-yl)propyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642707
5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 107873980
4-(chloromethyl)-3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazole
CID 65161690
4-methyl-1-[3-(oxolan-2-yl)propyl]pyrazol-3-amine
CID 65161363
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520
2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine
CID 82699798
1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078320
[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
CID 65166429
3-fluoro-5-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 106003127
ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate
CID 79318250

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine (CID 79547485) is 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine is CC(C)(C)c1c(N)nnn1CCC1CCCO1.
What is the InChIKey of 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine?
The InChIKey is CVHKAGXYUCRCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)10-11(13)14-15-16(10)7-6-9-5-4-8-17-9/h9H,4-8,13H2,1-3H3.
What are the key properties of 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine?
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine is sourced from PubChem (CID 79547485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).