N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide

C12H19N5O2 — CID 62175032

IUPACN-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCC(=O)NC)nn1
InChIInChI=1S/C12H19N5O2/c1-3-7-14-10-5-4-9(16-17-10)12(19)15-8-6-11(18)13-2/h4-5H,3,6-8H2,1-2H3,(H,13,18)(H,14,17)(H,15,19)
InChIKeyUTZLMUPFGAQDDM-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.16
Rot. Bonds7

About N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide

N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 62175032) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
PubChem CID62175032
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCC(=O)NC)nn1
InChIInChI=1S/C12H19N5O2/c1-3-7-14-10-5-4-9(16-17-10)12(19)15-8-6-11(18)13-2/h4-5H,3,6-8H2,1-2H3,(H,13,18)(H,14,17)(H,15,19)
InChIKeyUTZLMUPFGAQDDM-UHFFFAOYSA-N
XLogP0.16
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
CID 106342494
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
N-[2-(dimethylamino)-2-methylpropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62177462
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62177406
6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide
CID 109109201
N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide
CID 115690617
N-(2-cyclopentyloxyethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 63832896
N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
CID 62185105
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide (CID 62175032) is N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)NCCC(=O)NC)nn1.
What is the InChIKey of N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is UTZLMUPFGAQDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-7-14-10-5-4-9(16-17-10)12(19)15-8-6-11(18)13-2/h4-5H,3,6-8H2,1-2H3,(H,13,18)(H,14,17)(H,15,19).
What are the key properties of N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide?
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62175032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).