[1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine

C10H20N4O — CID 62455320

IUPAC[1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine
SMILESCCC(C)(C)OCCn1cc(CN)nn1
InChIInChI=1S/C10H20N4O/c1-4-10(2,3)15-6-5-14-8-9(7-11)12-13-14/h8H,4-7,11H2,1-3H3
InChIKeySGVWGOHEPJWDAK-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.94
Rot. Bonds6

About [1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine

[1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine (PubChem CID 62455320) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is [1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine
PubChem CID62455320
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name[1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine
SMILESCCC(C)(C)OCCn1cc(CN)nn1
InChIInChI=1S/C10H20N4O/c1-4-10(2,3)15-6-5-14-8-9(7-11)12-13-14/h8H,4-7,11H2,1-3H3
InChIKeySGVWGOHEPJWDAK-UHFFFAOYSA-N
XLogP0.94
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]ethanamine
CID 116641681
[1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine
CID 106667738
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282
4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
CID 112591369
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]ethanol
CID 112591367
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
CID 115460281
[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
CID 62456677
[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
CID 55073403
[1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
CID 64730831
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
CID 174340368

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine (CID 62455320) is [1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine is CCC(C)(C)OCCn1cc(CN)nn1.
What is the InChIKey of [1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine?
The InChIKey is SGVWGOHEPJWDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-10(2,3)15-6-5-14-8-9(7-11)12-13-14/h8H,4-7,11H2,1-3H3.
What are the key properties of [1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine?
[1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine has a molecular weight of 212.30 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62455320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).