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

C11H12N8O2 — CID 121195070

IUPAC1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide
SMILESCn1cc(-c2noc(CNC(=O)c3cn(C)nn3)n2)cn1
InChIInChI=1S/C11H12N8O2/c1-18-5-7(3-13-18)10-14-9(21-16-10)4-12-11(20)8-6-19(2)17-15-8/h3,5-6H,4H2,1-2H3,(H,12,20)
InChIKeyLBHXSCOVLDFEPN-UHFFFAOYSA-N
MW288.27 g/mol
LogP-0.47
Rot. Bonds4

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

1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide (PubChem CID 121195070) has the molecular formula C11H12N8O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide
PubChem CID121195070
Molecular FormulaC11H12N8O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide
SMILESCn1cc(-c2noc(CNC(=O)c3cn(C)nn3)n2)cn1
InChIInChI=1S/C11H12N8O2/c1-18-5-7(3-13-18)10-14-9(21-16-10)4-12-11(20)8-6-19(2)17-15-8/h3,5-6H,4H2,1-2H3,(H,12,20)
InChIKeyLBHXSCOVLDFEPN-UHFFFAOYSA-N
XLogP-0.47
TPSA116.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide (CID 121195070) is 1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide is Cn1cc(-c2noc(CNC(=O)c3cn(C)nn3)n2)cn1.
What is the InChIKey of 1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide?
The InChIKey is LBHXSCOVLDFEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8O2/c1-18-5-7(3-13-18)10-14-9(21-16-10)4-12-11(20)8-6-19(2)17-15-8/h3,5-6H,4H2,1-2H3,(H,12,20).
What are the key properties of 1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide?
1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide has a molecular weight of 288.27 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 121195070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).