6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid

C11H13N5O2 — CID 61440138

IUPAC6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid
SMILESCN(Cc1cnn(C)c1)c1ccc(C(=O)O)nn1
InChIInChI=1S/C11H13N5O2/c1-15(6-8-5-12-16(2)7-8)10-4-3-9(11(17)18)13-14-10/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyZCNHRGCWNXMAQE-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.54
Rot. Bonds4

About 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid

6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid (PubChem CID 61440138) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid
PubChem CID61440138
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid
SMILESCN(Cc1cnn(C)c1)c1ccc(C(=O)O)nn1
InChIInChI=1S/C11H13N5O2/c1-15(6-8-5-12-16(2)7-8)10-4-3-9(11(17)18)13-14-10/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyZCNHRGCWNXMAQE-UHFFFAOYSA-N
XLogP0.54
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate
CID 100690645
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
[6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-pyridinyl]methanol
CID 62254806
[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 61442010
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide
CID 64589435
N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide
CID 166341158
6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79827181
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 62752778
5-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzoic acid
CID 61442384
[6-[benzyl(methyl)amino]pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114629
6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid
CID 63657564
4-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzoic acid
CID 103004734

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid (CID 61440138) is 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid is CN(Cc1cnn(C)c1)c1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid?
The InChIKey is ZCNHRGCWNXMAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-15(6-8-5-12-16(2)7-8)10-4-3-9(11(17)18)13-14-10/h3-5,7H,6H2,1-2H3,(H,17,18).
What are the key properties of 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid?
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 61440138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).