6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide

C11H17ClN4O — CID 55101967

IUPAC6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide
SMILESCC(C)N(C)CCNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN4O/c1-8(2)16(3)7-6-13-11(17)9-4-5-10(12)15-14-9/h4-5,8H,6-7H2,1-3H3,(H,13,17)
InChIKeyVMUCXQGNOFULKG-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.20
Rot. Bonds5

About 6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide

6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide (PubChem CID 55101967) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide
PubChem CID55101967
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide
SMILESCC(C)N(C)CCNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN4O/c1-8(2)16(3)7-6-13-11(17)9-4-5-10(12)15-14-9/h4-5,8H,6-7H2,1-3H3,(H,13,17)
InChIKeyVMUCXQGNOFULKG-UHFFFAOYSA-N
XLogP1.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 60859027
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050253
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridazine-3-carboxamide
CID 114175119
6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050158
6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide
CID 61053648
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474
6-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 62642039
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050159
2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid
CID 114036847
6-chloropyridazine-3-carbohydrazide
CID 10080848

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide (CID 55101967) is 6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide is CC(C)N(C)CCNC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide?
The InChIKey is VMUCXQGNOFULKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-8(2)16(3)7-6-13-11(17)9-4-5-10(12)15-14-9/h4-5,8H,6-7H2,1-3H3,(H,13,17).
What are the key properties of 6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide?
6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide has a molecular weight of 256.74 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55101967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).