6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide

C11H11N5O — CID 175886273

IUPAC6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1ccc(Nc2ccccn2)nn1
InChIInChI=1S/C11H11N5O/c1-12-11(17)8-5-6-10(16-15-8)14-9-4-2-3-7-13-9/h2-7H,1H3,(H,12,17)(H,13,14,16)/i1D3
InChIKeyMJUJIRLYONAJFP-FIBGUPNXSA-N
MW232.26 g/mol
LogP0.97
Rot. Bonds4

About 6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 175886273) has the molecular formula C11H11N5O and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID175886273
Molecular FormulaC11H11N5O
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1ccc(Nc2ccccn2)nn1
InChIInChI=1S/C11H11N5O/c1-12-11(17)8-5-6-10(16-15-8)14-9-4-2-3-7-13-9/h2-7H,1H3,(H,12,17)(H,13,14,16)/i1D3
InChIKeyMJUJIRLYONAJFP-FIBGUPNXSA-N
XLogP0.97
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138911330
N-methyl-6-(1-pyridin-2-ylethylamino)pyridazine-3-carboxamide
CID 79005908
N-methyl-6-pyridin-2-ylpyridazine-3-carboxamide
CID 71251239
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120863
6-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120862
copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate
CID 139059840
6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120843
6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120841
6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120909
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120853
4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064919

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 175886273) is 6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1ccc(Nc2ccccn2)nn1.
What is the InChIKey of 6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is MJUJIRLYONAJFP-FIBGUPNXSA-N. The full InChI is InChI=1S/C11H11N5O/c1-12-11(17)8-5-6-10(16-15-8)14-9-4-2-3-7-13-9/h2-7H,1H3,(H,12,17)(H,13,14,16)/i1D3.
What are the key properties of 6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 232.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 175886273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).