3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine

C10H20N4O — CID 106221129

IUPAC3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine
SMILESCC(C)OCCn1cc(CCCN)nn1
InChIInChI=1S/C10H20N4O/c1-9(2)15-7-6-14-8-10(12-13-14)4-3-5-11/h8-9H,3-7,11H2,1-2H3
InChIKeyKSYXKNOJTVEVKR-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.59
Rot. Bonds7

About 3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine

3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine (PubChem CID 106221129) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine
PubChem CID106221129
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine
SMILESCC(C)OCCn1cc(CCCN)nn1
InChIInChI=1S/C10H20N4O/c1-9(2)15-7-6-14-8-10(12-13-14)4-3-5-11/h8-9H,3-7,11H2,1-2H3
InChIKeyKSYXKNOJTVEVKR-UHFFFAOYSA-N
XLogP0.59
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)triazole
CID 62401226
1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole
CID 155405262
4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole
CID 171725797
3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106220819
1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole
CID 155402046
3-[4-(3-aminopropyl)triazol-1-yl]-2-methylpropanamide
CID 106221461
3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106220688
N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine
CID 155599524
3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine
CID 106220877
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]ethanamine
CID 116641681

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine (CID 106221129) is 3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine is CC(C)OCCn1cc(CCCN)nn1.
What is the InChIKey of 3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine?
The InChIKey is KSYXKNOJTVEVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-9(2)15-7-6-14-8-10(12-13-14)4-3-5-11/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine?
3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine has a molecular weight of 212.30 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106221129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).