5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide

C13H13N7O2 — CID 119104939

IUPAC5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2nc(-c3cnn(C)c3)no2)cn1
InChIInChI=1S/C13H13N7O2/c1-8-3-15-10(5-14-8)13(21)16-6-11-18-12(19-22-11)9-4-17-20(2)7-9/h3-5,7H,6H2,1-2H3,(H,16,21)
InChIKeyCXAYDLQJVAGLAN-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.50
Rot. Bonds4

About 5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide

5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide (PubChem CID 119104939) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide
PubChem CID119104939
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2nc(-c3cnn(C)c3)no2)cn1
InChIInChI=1S/C13H13N7O2/c1-8-3-15-10(5-14-8)13(21)16-6-11-18-12(19-22-11)9-4-17-20(2)7-9/h3-5,7H,6H2,1-2H3,(H,16,21)
InChIKeyCXAYDLQJVAGLAN-UHFFFAOYSA-N
XLogP0.50
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide (CID 119104939) is 5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCc2nc(-c3cnn(C)c3)no2)cn1.
What is the InChIKey of 5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is CXAYDLQJVAGLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2/c1-8-3-15-10(5-14-8)13(21)16-6-11-18-12(19-22-11)9-4-17-20(2)7-9/h3-5,7H,6H2,1-2H3,(H,16,21).
What are the key properties of 5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide?
5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 119104939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).