2-methoxy-2-(1-methyltriazol-4-yl)ethanamine

C6H12N4O — CID 130599175

IUPAC2-methoxy-2-(1-methyltriazol-4-yl)ethanamine
SMILESCOC(CN)c1cn(C)nn1
InChIInChI=1S/C6H12N4O/c1-10-4-5(8-9-10)6(3-7)11-2/h4,6H,3,7H2,1-2H3
InChIKeyBKNCVJLJOHIPRF-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.54
Rot. Bonds3

About 2-methoxy-2-(1-methyltriazol-4-yl)ethanamine

2-methoxy-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 130599175) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-methoxy-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID130599175
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-methoxy-2-(1-methyltriazol-4-yl)ethanamine
SMILESCOC(CN)c1cn(C)nn1
InChIInChI=1S/C6H12N4O/c1-10-4-5(8-9-10)6(3-7)11-2/h4,6H,3,7H2,1-2H3
InChIKeyBKNCVJLJOHIPRF-UHFFFAOYSA-N
XLogP-0.54
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-methoxyethyl]-1-methyltriazole
CID 177199900
N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine
CID 130598801
2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol
CID 130602705
(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol
CID 96735449
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole
CID 148834099
4-(1-chloro-2-methylbutyl)-1-methyltriazole
CID 130603857
tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate
CID 130598570
(3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide
CID 130598575
2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054917
2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine
CID 130603691
cyclopropyl-(1-methyltriazol-4-yl)methanamine
CID 130521601

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 2-methoxy-2-(1-methyltriazol-4-yl)ethanamine (CID 130599175) is 2-methoxy-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-methoxy-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-methoxy-2-(1-methyltriazol-4-yl)ethanamine is COC(CN)c1cn(C)nn1.
What is the InChIKey of 2-methoxy-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is BKNCVJLJOHIPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-10-4-5(8-9-10)6(3-7)11-2/h4,6H,3,7H2,1-2H3.
What are the key properties of 2-methoxy-2-(1-methyltriazol-4-yl)ethanamine?
2-methoxy-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 156.19 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 130599175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).