[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine

C8H14N4O — CID 94339475

IUPAC[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(C[C@@H]2CCCO2)nn1
InChIInChI=1S/C8H14N4O/c9-4-7-5-12(11-10-7)6-8-2-1-3-13-8/h5,8H,1-4,6,9H2/t8-/m0/s1
InChIKeyVNVLDCZIOFIQLE-QMMMGPOBSA-N
MW182.23 g/mol
LogP-0.08
Rot. Bonds3

About [1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine

[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine (PubChem CID 94339475) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is [1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
PubChem CID94339475
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(C[C@@H]2CCCO2)nn1
InChIInChI=1S/C8H14N4O/c9-4-7-5-12(11-10-7)6-8-2-1-3-13-8/h5,8H,1-4,6,9H2/t8-/m0/s1
InChIKeyVNVLDCZIOFIQLE-QMMMGPOBSA-N
XLogP-0.08
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
4-(2-bromoethyl)-1-(oxan-2-ylmethyl)triazole
CID 62395835
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole
CID 56935415
2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine
CID 113314267
[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
CID 65166429
2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 114202257
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
2-[1-[3-(oxolan-2-yl)propyl]triazol-4-yl]ethanol
CID 65166430

Frequently Asked Questions

What is the IUPAC name of [1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine (CID 94339475) is [1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine is NCc1cn(C[C@@H]2CCCO2)nn1.
What is the InChIKey of [1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine?
The InChIKey is VNVLDCZIOFIQLE-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14N4O/c9-4-7-5-12(11-10-7)6-8-2-1-3-13-8/h5,8H,1-4,6,9H2/t8-/m0/s1.
What are the key properties of [1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine?
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine has a molecular weight of 182.23 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 94339475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).