1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine

C12H22N4O2 — CID 112744074

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
SMILESCCn1ncnc1C(NC)C1(OC)CCOCC1
InChIInChI=1S/C12H22N4O2/c1-4-16-11(14-9-15-16)10(13-2)12(17-3)5-7-18-8-6-12/h9-10,13H,4-8H2,1-3H3
InChIKeyGWIAFXLNTRLXRM-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.75
Rot. Bonds5

About 1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine

1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine (PubChem CID 112744074) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
PubChem CID112744074
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
SMILESCCn1ncnc1C(NC)C1(OC)CCOCC1
InChIInChI=1S/C12H22N4O2/c1-4-16-11(14-9-15-16)10(13-2)12(17-3)5-7-18-8-6-12/h9-10,13H,4-8H2,1-3H3
InChIKeyGWIAFXLNTRLXRM-UHFFFAOYSA-N
XLogP0.75
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 116764818
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116764616
[(4-methoxyoxan-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105276584
1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116764773
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 114660920
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710450
1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104760674
1-(1-methoxycyclopentyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 104610857
N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114689312
2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine
CID 116764745
1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 114731441
N-[(4-chloro-1-methylpyrazol-5-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 114661892

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine (CID 112744074) is 1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine is CCn1ncnc1C(NC)C1(OC)CCOCC1.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The InChIKey is GWIAFXLNTRLXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-16-11(14-9-15-16)10(13-2)12(17-3)5-7-18-8-6-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine has a molecular weight of 254.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 112744074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).