N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

C11H15N3O2 — CID 136537657

IUPACN-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)[nH]n1)C1CC1(C)C
InChIInChI=1S/C11H15N3O2/c1-11(2)6-8(11)14(3)10(16)7-4-5-9(15)13-12-7/h4-5,8H,6H2,1-3H3,(H,13,15)
InChIKeyWYFFLILWAKXWHK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.64
Rot. Bonds2

About N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 136537657) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID136537657
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)[nH]n1)C1CC1(C)C
InChIInChI=1S/C11H15N3O2/c1-11(2)6-8(11)14(3)10(16)7-4-5-9(15)13-12-7/h4-5,8H,6H2,1-3H3,(H,13,15)
InChIKeyWYFFLILWAKXWHK-UHFFFAOYSA-N
XLogP0.64
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (CID 136537657) is N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is CN(C(=O)c1ccc(=O)[nH]n1)C1CC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is WYFFLILWAKXWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(2)6-8(11)14(3)10(16)7-4-5-9(15)13-12-7/h4-5,8H,6H2,1-3H3,(H,13,15).
What are the key properties of N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 136537657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).