4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid

C12H12N4O2 — CID 106897797

IUPAC4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid
SMILESCc1ccnc(NCc2cccnn2)c1C(=O)O
InChIInChI=1S/C12H12N4O2/c1-8-4-6-13-11(10(8)12(17)18)14-7-9-3-2-5-15-16-9/h2-6H,7H2,1H3,(H,13,14)(H,17,18)
InChIKeyXCTNTACXAJRLAE-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.49
Rot. Bonds4

About 4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid

4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 106897797) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID106897797
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid
SMILESCc1ccnc(NCc2cccnn2)c1C(=O)O
InChIInChI=1S/C12H12N4O2/c1-8-4-6-13-11(10(8)12(17)18)14-7-9-3-2-5-15-16-9/h2-6H,7H2,1H3,(H,13,14)(H,17,18)
InChIKeyXCTNTACXAJRLAE-UHFFFAOYSA-N
XLogP1.49
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106896632
3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid
CID 106897804
4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106377654
4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid
CID 106896468
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 114129166
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 106042723
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid
CID 114112447
4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid
CID 115327372
3-nitro-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106832672
4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106022164
4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106409642
4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
CID 82947512

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid (CID 106897797) is 4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid is Cc1ccnc(NCc2cccnn2)c1C(=O)O.
What is the InChIKey of 4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is XCTNTACXAJRLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-4-6-13-11(10(8)12(17)18)14-7-9-3-2-5-15-16-9/h2-6H,7H2,1H3,(H,13,14)(H,17,18).
What are the key properties of 4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid?
4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 106897797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).