2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine

C8H16N4O — CID 62711589

IUPAC2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
SMILESCNCCc1nncn1CCOC
InChIInChI=1S/C8H16N4O/c1-9-4-3-8-11-10-7-12(8)5-6-13-2/h7,9H,3-6H2,1-2H3
InChIKeyGJTYQQYBQFSHFO-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.31
Rot. Bonds6

About 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine

2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine (PubChem CID 62711589) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
PubChem CID62711589
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
SMILESCNCCc1nncn1CCOC
InChIInChI=1S/C8H16N4O/c1-9-4-3-8-11-10-7-12(8)5-6-13-2/h7,9H,3-6H2,1-2H3
InChIKeyGJTYQQYBQFSHFO-UHFFFAOYSA-N
XLogP-0.31
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393769
1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 98013965
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 157016114
N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62692198
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
3-[(4-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393752
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 118789537
5-methoxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpyridine-4-carboxamide
CID 146043861

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine (CID 62711589) is 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine is CNCCc1nncn1CCOC.
What is the InChIKey of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine?
The InChIKey is GJTYQQYBQFSHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-9-4-3-8-11-10-7-12(8)5-6-13-2/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine?
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine has a molecular weight of 184.24 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 62711589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).