2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine

C12H17N5O2 — CID 58764078

IUPAC2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCCOC(OCC)c1nc(-c2cnccn2)nn1C
InChIInChI=1S/C12H17N5O2/c1-4-18-12(19-5-2)11-15-10(16-17(11)3)9-8-13-6-7-14-9/h6-8,12H,4-5H2,1-3H3
InChIKeyWLEWPPKQQNHYGI-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.34
Rot. Bonds6

About 2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine

2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 58764078) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine
PubChem CID58764078
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCCOC(OCC)c1nc(-c2cnccn2)nn1C
InChIInChI=1S/C12H17N5O2/c1-4-18-12(19-5-2)11-15-10(16-17(11)3)9-8-13-6-7-14-9/h6-8,12H,4-5H2,1-3H3
InChIKeyWLEWPPKQQNHYGI-UHFFFAOYSA-N
XLogP1.34
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-methylpyrazin-2-yl)methyl]morpholine
CID 72141674
2-[1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazol-2-yl]pyrazine
CID 100715331
(2R)-4-(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine
CID 171359709
Ethyl 5-methyl-1-(pyrazin-2-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 156138083
Methyl 5-methyl-1-(pyrazin-2-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 156207050
Ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate
CID 170442328
Methyl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate
CID 43839964
Ethyl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate
CID 43839965
Propan-2-yl 2-[3,5-di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetate
CID 43839966
2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine
CID 46398010
Ethyl 1-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-triazole-3-carboxylate
CID 55182922
3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
CID 63260264

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine (CID 58764078) is 2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine is CCOC(OCC)c1nc(-c2cnccn2)nn1C.
What is the InChIKey of 2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is WLEWPPKQQNHYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-18-12(19-5-2)11-15-10(16-17(11)3)9-8-13-6-7-14-9/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine?
2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 263.30 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 58764078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).