1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C10H18N4O — CID 104997936

IUPAC1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC1OCCC1C(N)Cc1ncnn1C
InChIInChI=1S/C10H18N4O/c1-7-8(3-4-15-7)9(11)5-10-12-6-13-14(10)2/h6-9H,3-5,11H2,1-2H3
InChIKeyHESHFZZYLOMGGJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.11
Rot. Bonds3

About 1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104997936) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104997936
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC1OCCC1C(N)Cc1ncnn1C
InChIInChI=1S/C10H18N4O/c1-7-8(3-4-15-7)9(11)5-10-12-6-13-14(10)2/h6-9H,3-5,11H2,1-2H3
InChIKeyHESHFZZYLOMGGJ-UHFFFAOYSA-N
XLogP0.11
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064153
1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816524
1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991828
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891
1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074801
2-cyclobutyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115863835
[1-(2-methylcyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107194210
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylcyclopentyl)ethanamine
CID 107189682
N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine
CID 113391595
(2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808146
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997860
1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80611657

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 104997936) is 1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CC1OCCC1C(N)Cc1ncnn1C.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is HESHFZZYLOMGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-8(3-4-15-7)9(11)5-10-12-6-13-14(10)2/h6-9H,3-5,11H2,1-2H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104997936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).