5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine

C6H12N4O — CID 104605270

IUPAC5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCCOCc1nc(N)n(C)n1
InChIInChI=1S/C6H12N4O/c1-3-11-4-5-8-6(7)10(2)9-5/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyBANWBAHLTACSKT-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.07
Rot. Bonds3

About 5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine

5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104605270) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID104605270
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCCOCc1nc(N)n(C)n1
InChIInChI=1S/C6H12N4O/c1-3-11-4-5-8-6(7)10(2)9-5/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyBANWBAHLTACSKT-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-amine
CID 103206966
2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine
CID 104605296
2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine
CID 104605278
2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 103132094
2-(ethoxymethyl)-5-iodopyrimidin-4-amine
CID 66303101
5-(2-chloro-4-fluorophenyl)-3-(ethoxymethyl)-1-methyl-1,2,4-triazole
CID 72864286
2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine
CID 90853863
2-methyl-5-(thian-4-ylmethyl)-1,2,4-triazol-3-amine
CID 104605118
2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine
CID 104605510
ethoxyethane;1,3,5-triazine-2,4,6-triamine
CID 22177331
5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605153
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine (CID 104605270) is 5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine is CCOCc1nc(N)n(C)n1.
What is the InChIKey of 5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is BANWBAHLTACSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-3-11-4-5-8-6(7)10(2)9-5/h3-4H2,1-2H3,(H2,7,8,9).
What are the key properties of 5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine?
5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 156.19 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).