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

C11H14N6O2 — CID 54883674

IUPAC2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NCc2ncn[nH]2)c1C
InChIInChI=1S/C11H14N6O2/c1-6-7(2)16-17(3)11(19)9(6)10(18)12-4-8-13-5-14-15-8/h5H,4H2,1-3H3,(H,12,18)(H,13,14,15)
InChIKeyYEBKJGMAOUCZDQ-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.55
Rot. Bonds3

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

2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide (PubChem CID 54883674) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide
PubChem CID54883674
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NCc2ncn[nH]2)c1C
InChIInChI=1S/C11H14N6O2/c1-6-7(2)16-17(3)11(19)9(6)10(18)12-4-8-13-5-14-15-8/h5H,4H2,1-3H3,(H,12,18)(H,13,14,15)
InChIKeyYEBKJGMAOUCZDQ-UHFFFAOYSA-N
XLogP-0.55
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide?
The IUPAC name of 2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide (CID 54883674) is 2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide?
The canonical SMILES for 2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)NCc2ncn[nH]2)c1C.
What is the InChIKey of 2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide?
The InChIKey is YEBKJGMAOUCZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-6-7(2)16-17(3)11(19)9(6)10(18)12-4-8-13-5-14-15-8/h5H,4H2,1-3H3,(H,12,18)(H,13,14,15).
What are the key properties of 2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide?
2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide has a molecular weight of 262.27 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 54883674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).