6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide

C12H21N5O — CID 79098153

IUPAC6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide
SMILESCCN(CC)CC(C)Nc1ccc(C(N)=O)nn1
InChIInChI=1S/C12H21N5O/c1-4-17(5-2)8-9(3)14-11-7-6-10(12(13)18)15-16-11/h6-7,9H,4-5,8H2,1-3H3,(H2,13,18)(H,14,16)
InChIKeyLXLVEKHQUDULFJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.72
Rot. Bonds7

About 6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide

6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide (PubChem CID 79098153) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide
PubChem CID79098153
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide
SMILESCCN(CC)CC(C)Nc1ccc(C(N)=O)nn1
InChIInChI=1S/C12H21N5O/c1-4-17(5-2)8-9(3)14-11-7-6-10(12(13)18)15-16-11/h6-7,9H,4-5,8H2,1-3H3,(H2,13,18)(H,14,16)
InChIKeyLXLVEKHQUDULFJ-UHFFFAOYSA-N
XLogP0.72
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(diethylamino)propan-2-yl]-6-hydrazinylpyridazine-3-carboxamide
CID 55050979
6-(1-pyrazol-1-ylpropan-2-ylamino)pyridazine-3-carboxamide
CID 79099266
6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide
CID 113260885
6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide
CID 106231516
6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide
CID 102913837
6-(butan-2-ylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109111349
methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
CID 60792454
N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide
CID 109111487
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348
6-[[(2S)-butan-2-yl]amino]pyridine-2-carboxamide
CID 123938192
6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid
CID 83176505
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194

Frequently Asked Questions

What is the IUPAC name of 6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide (CID 79098153) is 6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide is CCN(CC)CC(C)Nc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide?
The InChIKey is LXLVEKHQUDULFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-17(5-2)8-9(3)14-11-7-6-10(12(13)18)15-16-11/h6-7,9H,4-5,8H2,1-3H3,(H2,13,18)(H,14,16).
What are the key properties of 6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide?
6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 79098153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).