2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone

C10H16N4O2 — CID 107138462

IUPAC2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone
SMILESNCc1cn(CC(=O)C2CCCOC2)nn1
InChIInChI=1S/C10H16N4O2/c11-4-9-5-14(13-12-9)6-10(15)8-2-1-3-16-7-8/h5,8H,1-4,6-7,11H2
InChIKeySBZUCWFBFHADNK-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.27
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone

2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone (PubChem CID 107138462) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone
PubChem CID107138462
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone
SMILESNCc1cn(CC(=O)C2CCCOC2)nn1
InChIInChI=1S/C10H16N4O2/c11-4-9-5-14(13-12-9)6-10(15)8-2-1-3-16-7-8/h5,8H,1-4,6-7,11H2
InChIKeySBZUCWFBFHADNK-UHFFFAOYSA-N
XLogP-0.27
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone 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

2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
2-[4-(aminomethyl)triazol-1-yl]-1-(3-methylsulfonylcyclohexyl)ethanone
CID 116599710
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
CID 115459437
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
CID 130757980
2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 115459483
2-[4-(aminomethyl)triazol-1-yl]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 113314232
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 62055546
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide
CID 113314068

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone (CID 107138462) is 2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone is NCc1cn(CC(=O)C2CCCOC2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone?
The InChIKey is SBZUCWFBFHADNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-4-9-5-14(13-12-9)6-10(15)8-2-1-3-16-7-8/h5,8H,1-4,6-7,11H2.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone?
2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone has a molecular weight of 224.26 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-1-(oxan-3-yl)ethanone is sourced from PubChem (CID 107138462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).