4-[(1R)-1-methoxyethyl]-1-methyltriazole

C6H11N3O — CID 177199900

IUPAC4-[(1R)-1-methoxyethyl]-1-methyltriazole
SMILESCO[C@H](C)c1cn(C)nn1
InChIInChI=1S/C6H11N3O/c1-5(10-3)6-4-9(2)8-7-6/h4-5H,1-3H3/t5-/m1/s1
InChIKeyVFZZUVOAMKKQHG-RXMQYKEDSA-N
MW141.17 g/mol
LogP0.52
Rot. Bonds2

About 4-[(1R)-1-methoxyethyl]-1-methyltriazole

4-[(1R)-1-methoxyethyl]-1-methyltriazole (PubChem CID 177199900) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-[(1R)-1-methoxyethyl]-1-methyltriazole.

Molecular Properties

Compound Name4-[(1R)-1-methoxyethyl]-1-methyltriazole
PubChem CID177199900
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-[(1R)-1-methoxyethyl]-1-methyltriazole
SMILESCO[C@H](C)c1cn(C)nn1
InChIInChI=1S/C6H11N3O/c1-5(10-3)6-4-9(2)8-7-6/h4-5H,1-3H3/t5-/m1/s1
InChIKeyVFZZUVOAMKKQHG-RXMQYKEDSA-N
XLogP0.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol
CID 130602705
2-methoxy-2-(1-methyltriazol-4-yl)ethanamine
CID 130599175
1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole
CID 148834099
4-(1-chloro-2-methylbutyl)-1-methyltriazole
CID 130603857
2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine
CID 130603691
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol
CID 130602732
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
2-bromo-4-[[4-(1-methoxyethyl)triazol-1-yl]methyl]-1,3-thiazole
CID 167779447
cyclopropyl-(1-methyltriazol-4-yl)methanamine
CID 130521601
N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine
CID 130598801
(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol
CID 96735449

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-methoxyethyl]-1-methyltriazole?
The IUPAC name of 4-[(1R)-1-methoxyethyl]-1-methyltriazole (CID 177199900) is 4-[(1R)-1-methoxyethyl]-1-methyltriazole.
What is the SMILES notation for 4-[(1R)-1-methoxyethyl]-1-methyltriazole?
The canonical SMILES for 4-[(1R)-1-methoxyethyl]-1-methyltriazole is CO[C@H](C)c1cn(C)nn1.
What is the InChIKey of 4-[(1R)-1-methoxyethyl]-1-methyltriazole?
The InChIKey is VFZZUVOAMKKQHG-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(10-3)6-4-9(2)8-7-6/h4-5H,1-3H3/t5-/m1/s1.
What are the key properties of 4-[(1R)-1-methoxyethyl]-1-methyltriazole?
4-[(1R)-1-methoxyethyl]-1-methyltriazole has a molecular weight of 141.17 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-methoxyethyl]-1-methyltriazole is sourced from PubChem (CID 177199900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).