4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole

C6H13N3O — CID 141238952

IUPAC4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole
SMILESCCN1CNN=C1COC
InChIInChI=1S/C6H13N3O/c1-3-9-5-7-8-6(9)4-10-2/h7H,3-5H2,1-2H3
InChIKeyLQSZEKCKHGVZCN-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.17
Rot. Bonds3

About 4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole

4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole (PubChem CID 141238952) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole
PubChem CID141238952
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole
SMILESCCN1CNN=C1COC
InChIInChI=1S/C6H13N3O/c1-3-9-5-7-8-6(9)4-10-2/h7H,3-5H2,1-2H3
InChIKeyLQSZEKCKHGVZCN-UHFFFAOYSA-N
XLogP-0.17
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoroethyl)-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol
CID 165482340
4-(2-methoxyethyl)-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol
CID 91693954
4-ethyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol
CID 3281955
4-Ethyl-5-methoxymethyl-2,4-dihydro[1,2,4]triazol-3-one
CID 57927262
3-(ethoxymethyl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 87258042
(4-Ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
CID 91096425
3-(Ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole
CID 91384638
(4-Propan-2-yl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
CID 152221213
4-Ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol
CID 166946697
3-(Methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole
CID 174253990
4-Ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole-5-carbothialdehyde
CID 174506018
4-(2-Methoxyethyl)-5-methyl-4H-1,2,4-triazole-3-thiol
CID 12615427

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole (CID 141238952) is 4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole is CCN1CNN=C1COC.
What is the InChIKey of 4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole?
The InChIKey is LQSZEKCKHGVZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-3-9-5-7-8-6(9)4-10-2/h7H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole?
4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole has a molecular weight of 143.19 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 141238952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).