5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide

C12H13N7O2 — CID 163315760

IUPAC5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1nc(C(=O)NCc2cccc3ncnn23)nn1C
InChIInChI=1S/C12H13N7O2/c1-18-12(21-2)16-10(17-18)11(20)13-6-8-4-3-5-9-14-7-15-19(8)9/h3-5,7H,6H2,1-2H3,(H,13,20)
InChIKeyVIWRZYGYNLKJMN-UHFFFAOYSA-N
MW287.28 g/mol
LogP-0.20
Rot. Bonds4

About 5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide

5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 163315760) has the molecular formula C12H13N7O2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide
PubChem CID163315760
Molecular FormulaC12H13N7O2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1nc(C(=O)NCc2cccc3ncnn23)nn1C
InChIInChI=1S/C12H13N7O2/c1-18-12(21-2)16-10(17-18)11(20)13-6-8-4-3-5-9-14-7-15-19(8)9/h3-5,7H,6H2,1-2H3,(H,13,20)
InChIKeyVIWRZYGYNLKJMN-UHFFFAOYSA-N
XLogP-0.20
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide (CID 163315760) is 5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide is COc1nc(C(=O)NCc2cccc3ncnn23)nn1C.
What is the InChIKey of 5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is VIWRZYGYNLKJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O2/c1-18-12(21-2)16-10(17-18)11(20)13-6-8-4-3-5-9-14-7-15-19(8)9/h3-5,7H,6H2,1-2H3,(H,13,20).
What are the key properties of 5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide?
5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 163315760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).