N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide

C13H22N4O — CID 106329496

IUPACN,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide
SMILESCCC(C)(CC)Nc1ccc(C(=O)N(C)C)nn1
InChIInChI=1S/C13H22N4O/c1-6-13(3,7-2)14-11-9-8-10(15-16-11)12(18)17(4)5/h8-9H,6-7H2,1-5H3,(H,14,16)
InChIKeyLPAICQTZCVKVBO-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.17
Rot. Bonds5

About N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide

N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide (PubChem CID 106329496) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide
PubChem CID106329496
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide
SMILESCCC(C)(CC)Nc1ccc(C(=O)N(C)C)nn1
InChIInChI=1S/C13H22N4O/c1-6-13(3,7-2)14-11-9-8-10(15-16-11)12(18)17(4)5/h8-9H,6-7H2,1-5H3,(H,14,16)
InChIKeyLPAICQTZCVKVBO-UHFFFAOYSA-N
XLogP2.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide (CID 106329496) is N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide is CCC(C)(CC)Nc1ccc(C(=O)N(C)C)nn1.
What is the InChIKey of N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide?
The InChIKey is LPAICQTZCVKVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-6-13(3,7-2)14-11-9-8-10(15-16-11)12(18)17(4)5/h8-9H,6-7H2,1-5H3,(H,14,16).
What are the key properties of N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide?
N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 106329496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).