N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide

C13H22N4O — CID 62185105

IUPACN-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NC(C)CCC)nn1
InChIInChI=1S/C13H22N4O/c1-4-6-10(3)15-13(18)11-7-8-12(17-16-11)14-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeySAHGGISPCBQSRU-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.22
Rot. Bonds7

About N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide

N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 62185105) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
PubChem CID62185105
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NC(C)CCC)nn1
InChIInChI=1S/C13H22N4O/c1-4-6-10(3)15-13(18)11-7-8-12(17-16-11)14-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeySAHGGISPCBQSRU-UHFFFAOYSA-N
XLogP2.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide
CID 106027845
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(ethylamino)-N-hexan-3-ylpyridazine-3-carboxamide
CID 62181112
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109111575
6-(ethylamino)-N-octan-4-ylpyridazine-3-carboxamide
CID 106027867
N-(3-methoxy-2-methylpropyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62174819
N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide
CID 107818061
N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide
CID 115690617
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide (CID 62185105) is N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)NC(C)CCC)nn1.
What is the InChIKey of N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is SAHGGISPCBQSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-6-10(3)15-13(18)11-7-8-12(17-16-11)14-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide?
N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62185105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).