N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide

C12H20N4O — CID 62169151

IUPACN-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)CCC)nn1
InChIInChI=1S/C12H20N4O/c1-4-8-13-11-7-6-10(14-15-11)12(17)16(3)9-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,13,15)
InChIKeyCTKBZGSETREHHL-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.78
Rot. Bonds6

About N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide

N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 62169151) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide
PubChem CID62169151
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)CCC)nn1
InChIInChI=1S/C12H20N4O/c1-4-8-13-11-7-6-10(14-15-11)12(17)16(3)9-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,13,15)
InChIKeyCTKBZGSETREHHL-UHFFFAOYSA-N
XLogP1.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide
CID 62177414
N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide
CID 62178802
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
6-(ethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 62165114
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N,N-bis(2-methoxyethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62176695
6-(2-methoxyethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 109113786
N-[2-(dimethylamino)-2-methylpropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62177462
N,N-dibutyl-6-(ethylamino)pyridazine-3-carboxamide
CID 62167195
6-[2-(carbamoylamino)ethylamino]-N,N-dimethylpyridazine-3-carboxamide
CID 83114171
N-(2-hydroxyethyl)-N-methyl-6-(methylamino)pyridazine-3-carboxamide
CID 62180605
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide (CID 62169151) is N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)N(C)CCC)nn1.
What is the InChIKey of N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is CTKBZGSETREHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-8-13-11-7-6-10(14-15-11)12(17)16(3)9-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide?
N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62169151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).