N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide

C12H16N6O2 — CID 106418721

IUPACN,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
SMILESCc1noc(CCNc2ccc(C(=O)N(C)C)nn2)n1
InChIInChI=1S/C12H16N6O2/c1-8-14-11(20-17-8)6-7-13-10-5-4-9(15-16-10)12(19)18(2)3/h4-5H,6-7H2,1-3H3,(H,13,16)
InChIKeySEZQIQKSSDZCJF-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.52
Rot. Bonds5

About N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide

N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide (PubChem CID 106418721) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
PubChem CID106418721
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
SMILESCc1noc(CCNc2ccc(C(=O)N(C)C)nn2)n1
InChIInChI=1S/C12H16N6O2/c1-8-14-11(20-17-8)6-7-13-10-5-4-9(15-16-10)12(19)18(2)3/h4-5H,6-7H2,1-3H3,(H,13,16)
InChIKeySEZQIQKSSDZCJF-UHFFFAOYSA-N
XLogP0.52
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880029
6-[2-(carbamoylamino)ethylamino]-N,N-dimethylpyridazine-3-carboxamide
CID 83114171
4-amino-N,N-dimethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106414327
2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate
CID 83203413
5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid
CID 114186390
2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106422051
methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate
CID 114186375
4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103761486
2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103761485
5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 114185667
3-chloro-6-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106422909
4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106414229

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide (CID 106418721) is N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide is Cc1noc(CCNc2ccc(C(=O)N(C)C)nn2)n1.
What is the InChIKey of N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is SEZQIQKSSDZCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-8-14-11(20-17-8)6-7-13-10-5-4-9(15-16-10)12(19)18(2)3/h4-5H,6-7H2,1-3H3,(H,13,16).
What are the key properties of N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide?
N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 106418721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).