N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide

C12H16N6O — CID 79207867

IUPACN-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(Nc2cnn(C(C)C)c2)nn1
InChIInChI=1S/C12H16N6O/c1-8(2)18-7-9(6-14-18)15-11-5-4-10(16-17-11)12(19)13-3/h4-8H,1-3H3,(H,13,19)(H,15,17)
InChIKeyMLARWJCOCCEBPF-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.36
Rot. Bonds4

About N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide

N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide (PubChem CID 79207867) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide
PubChem CID79207867
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(Nc2cnn(C(C)C)c2)nn1
InChIInChI=1S/C12H16N6O/c1-8(2)18-7-9(6-14-18)15-11-5-4-10(16-17-11)12(19)13-3/h4-8H,1-3H3,(H,13,19)(H,15,17)
InChIKeyMLARWJCOCCEBPF-UHFFFAOYSA-N
XLogP1.36
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-[(1-propan-2-ylpyrazol-4-yl)amino]benzamide
CID 115545956
6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid
CID 60792259
3-amino-4-[(1-propan-2-ylpyrazol-4-yl)amino]benzamide
CID 55131641
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide
CID 167773043
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194
6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide
CID 62904281
N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 107095654
6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide
CID 133349282
6-anilino-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111240
N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide
CID 133329435
6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207097

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide (CID 79207867) is N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide is CNC(=O)c1ccc(Nc2cnn(C(C)C)c2)nn1.
What is the InChIKey of N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide?
The InChIKey is MLARWJCOCCEBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8(2)18-7-9(6-14-18)15-11-5-4-10(16-17-11)12(19)13-3/h4-8H,1-3H3,(H,13,19)(H,15,17).
What are the key properties of N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide?
N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 79207867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).