6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide

C11H14N4O — CID 106231516

IUPAC6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide
SMILESC#CC(CCC)Nc1ccc(C(N)=O)nn1
InChIInChI=1S/C11H14N4O/c1-3-5-8(4-2)13-10-7-6-9(11(12)16)14-15-10/h2,6-8H,3,5H2,1H3,(H2,12,16)(H,13,15)
InChIKeyNDFLANPQGITVBL-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.79
Rot. Bonds5

About 6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide

6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide (PubChem CID 106231516) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide
PubChem CID106231516
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide
SMILESC#CC(CCC)Nc1ccc(C(N)=O)nn1
InChIInChI=1S/C11H14N4O/c1-3-5-8(4-2)13-10-7-6-9(11(12)16)14-15-10/h2,6-8H,3,5H2,1H3,(H2,12,16)(H,13,15)
InChIKeyNDFLANPQGITVBL-UHFFFAOYSA-N
XLogP0.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide
CID 103578139
6-(hex-1-yn-3-ylamino)pyridine-2-carboxylic acid
CID 106231059
6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 114161515
6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide
CID 79098153
N-hex-1-yn-3-yl-6-methyl-5-nitropyridin-2-amine
CID 106231548
6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide
CID 113260885
methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
CID 60792454
6-[(4-amino-1-methoxybutan-2-yl)amino]pyridazine-3-carboxamide
CID 106154481
methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate
CID 65192484
1-(hex-1-yn-3-ylamino)isoquinoline-4-carboxylic acid
CID 106231022
N-hex-1-yn-3-ylpyrimidin-4-amine
CID 106231448
6-(1-pyrazol-1-ylpropan-2-ylamino)pyridazine-3-carboxamide
CID 79099266

Frequently Asked Questions

What is the IUPAC name of 6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide (CID 106231516) is 6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide is C#CC(CCC)Nc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide?
The InChIKey is NDFLANPQGITVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-5-8(4-2)13-10-7-6-9(11(12)16)14-15-10/h2,6-8H,3,5H2,1H3,(H2,12,16)(H,13,15).
What are the key properties of 6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide?
6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 106231516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).