2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine

C9H16N4O — CID 107049452

IUPAC2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine
SMILESCn1cc(CC(N)C2CCOC2)nn1
InChIInChI=1S/C9H16N4O/c1-13-5-8(11-12-13)4-9(10)7-2-3-14-6-7/h5,7,9H,2-4,6,10H2,1H3
InChIKeyHTOIKATWEZBZFD-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.28
Rot. Bonds3

About 2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine

2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine (PubChem CID 107049452) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine
PubChem CID107049452
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine
SMILESCn1cc(CC(N)C2CCOC2)nn1
InChIInChI=1S/C9H16N4O/c1-13-5-8(11-12-13)4-9(10)7-2-3-14-6-7/h5,7,9H,2-4,6,10H2,1H3
InChIKeyHTOIKATWEZBZFD-UHFFFAOYSA-N
XLogP-0.28
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol
CID 107045995
1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049489
1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064153
1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65330460
2-(5-methyl-2-pyridinyl)-1-(oxolan-3-yl)ethanamine
CID 66445949
2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755787
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine
CID 107050849
1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
CID 107046208
1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107051012
2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid
CID 107045186
2-(1-methyltriazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanamine
CID 107049977

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine (CID 107049452) is 2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine is Cn1cc(CC(N)C2CCOC2)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is HTOIKATWEZBZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-5-8(11-12-13)4-9(10)7-2-3-14-6-7/h5,7,9H,2-4,6,10H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine?
2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 196.25 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 107049452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).