1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

C11H20N4O2 — CID 104760674

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCCn1ncnc1CNCC1(OC)CCOC1
InChIInChI=1S/C11H20N4O2/c1-3-15-10(13-9-14-15)6-12-7-11(16-2)4-5-17-8-11/h9,12H,3-8H2,1-2H3
InChIKeyDZJUKNYFWKWJSB-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.19
Rot. Bonds6

About 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (PubChem CID 104760674) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
PubChem CID104760674
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCCn1ncnc1CNCC1(OC)CCOC1
InChIInChI=1S/C11H20N4O2/c1-3-15-10(13-9-14-15)6-12-7-11(16-2)4-5-17-8-11/h9,12H,3-8H2,1-2H3
InChIKeyDZJUKNYFWKWJSB-UHFFFAOYSA-N
XLogP0.19
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine 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-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704912
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 115455596
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113443313
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107042678
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 104760831
1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine
CID 104762687
N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 104759795
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705070
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113450199
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704877

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (CID 104760674) is 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is CCn1ncnc1CNCC1(OC)CCOC1.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The InChIKey is DZJUKNYFWKWJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-15-10(13-9-14-15)6-12-7-11(16-2)4-5-17-8-11/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine has a molecular weight of 240.31 g/mol, XLogP of 0.19, 6 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)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is sourced from PubChem (CID 104760674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).