N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide

C13H18N6O — CID 102807260

IUPACN-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2cn(C)nc2C)nn1
InChIInChI=1S/C13H18N6O/c1-4-7-14-12-6-5-10(16-17-12)13(20)15-11-8-19(3)18-9(11)2/h5-6,8H,4,7H2,1-3H3,(H,14,17)(H,15,20)
InChIKeySBNYUSNLPKVIPF-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.59
Rot. Bonds5

About N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide

N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 102807260) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide
PubChem CID102807260
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2cn(C)nc2C)nn1
InChIInChI=1S/C13H18N6O/c1-4-7-14-12-6-5-10(16-17-12)13(20)15-11-8-19(3)18-9(11)2/h5-6,8H,4,7H2,1-3H3,(H,14,17)(H,15,20)
InChIKeySBNYUSNLPKVIPF-UHFFFAOYSA-N
XLogP1.59
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 62166973
N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
CID 102807314
N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167021
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109147
N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 107643067
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551
N-(1,3-dimethylpyrazol-4-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377186
6-(propylamino)-N-thiophen-3-ylpyridazine-3-carboxamide
CID 66353573
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
6-(ethylamino)-N-(1-methylpyrazol-3-yl)pyridazine-3-carboxamide
CID 62180741
6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109110690

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide (CID 102807260) is N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)Nc2cn(C)nc2C)nn1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is SBNYUSNLPKVIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-4-7-14-12-6-5-10(16-17-12)13(20)15-11-8-19(3)18-9(11)2/h5-6,8H,4,7H2,1-3H3,(H,14,17)(H,15,20).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 102807260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).