ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine

C10H20N4O — CID 156868263

IUPACethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine
SMILESCC.CNCC1(Cn2cncn2)COC1
InChIInChI=1S/C8H14N4O.C2H6/c1-9-2-8(4-13-5-8)3-12-7-10-6-11-12;1-2/h6-7,9H,2-5H2,1H3;1-2H3
InChIKeyAAPFRJFODBVVEV-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.54
Rot. Bonds4

About ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine

ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine (PubChem CID 156868263) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine
PubChem CID156868263
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Nameethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine
SMILESCC.CNCC1(Cn2cncn2)COC1
InChIInChI=1S/C8H14N4O.C2H6/c1-9-2-8(4-13-5-8)3-12-7-10-6-11-12;1-2/h6-7,9H,2-5H2,1H3;1-2H3
InChIKeyAAPFRJFODBVVEV-UHFFFAOYSA-N
XLogP0.54
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine?
The IUPAC name of ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine (CID 156868263) is ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine.
What is the SMILES notation for ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine?
The canonical SMILES for ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine is CC.CNCC1(Cn2cncn2)COC1.
What is the InChIKey of ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine?
The InChIKey is AAPFRJFODBVVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.C2H6/c1-9-2-8(4-13-5-8)3-12-7-10-6-11-12;1-2/h6-7,9H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine?
ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine has a molecular weight of 212.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methanamine is sourced from PubChem (CID 156868263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).