N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide

C10H12N6O2 — CID 64509908

IUPACN,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C10H12N6O2/c1-15(5-8-11-6-12-13-8)10(18)7-3-4-9(17)16(2)14-7/h3-4,6H,5H2,1-2H3,(H,11,12,13)
InChIKeyYRIUAAGDHUFAJA-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.83
Rot. Bonds3

About N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide

N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide (PubChem CID 64509908) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
PubChem CID64509908
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC NameN,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C10H12N6O2/c1-15(5-8-11-6-12-13-8)10(18)7-3-4-9(17)16(2)14-7/h3-4,6H,5H2,1-2H3,(H,11,12,13)
InChIKeyYRIUAAGDHUFAJA-UHFFFAOYSA-N
XLogP-0.83
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide (CID 64509908) is N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is YRIUAAGDHUFAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-15(5-8-11-6-12-13-8)10(18)7-3-4-9(17)16(2)14-7/h3-4,6H,5H2,1-2H3,(H,11,12,13).
What are the key properties of N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 248.25 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 64509908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).