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

C12H21N5O — CID 106050158

IUPAC6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1ccc(N)nn1
InChIInChI=1S/C12H21N5O/c1-9(2)17(3)8-4-7-14-12(18)10-5-6-11(13)16-15-10/h5-6,9H,4,7-8H2,1-3H3,(H2,13,16)(H,14,18)
InChIKeyNUBTWALMQMDCNU-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.52
Rot. Bonds6

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

6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide (PubChem CID 106050158) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
PubChem CID106050158
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1ccc(N)nn1
InChIInChI=1S/C12H21N5O/c1-9(2)17(3)8-4-7-14-12(18)10-5-6-11(13)16-15-10/h5-6,9H,4,7-8H2,1-3H3,(H2,13,16)(H,14,18)
InChIKeyNUBTWALMQMDCNU-UHFFFAOYSA-N
XLogP0.52
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050253
6-amino-N-(5-methoxypentyl)pyridazine-3-carboxamide
CID 114131484
6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide
CID 55101967
6-amino-N-(2-methylsulfonylethyl)pyridazine-3-carboxamide
CID 62153010
N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide
CID 62154293
5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050159
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033035
6-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106040275
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033190
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide (CID 106050158) is 6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide is CC(C)N(C)CCCNC(=O)c1ccc(N)nn1.
What is the InChIKey of 6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide?
The InChIKey is NUBTWALMQMDCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9(2)17(3)8-4-7-14-12(18)10-5-6-11(13)16-15-10/h5-6,9H,4,7-8H2,1-3H3,(H2,13,16)(H,14,18).
What are the key properties of 6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide?
6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 106050158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).