N-hex-5-yn-3-ylpyridazine-4-carboxamide

C11H13N3O — CID 115769387

IUPACN-hex-5-yn-3-ylpyridazine-4-carboxamide
SMILESC#CCC(CC)NC(=O)c1ccnnc1
InChIInChI=1S/C11H13N3O/c1-3-5-10(4-2)14-11(15)9-6-7-12-13-8-9/h1,6-8,10H,4-5H2,2H3,(H,14,15)
InChIKeyDVYFBFUFYQRRHM-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.01
Rot. Bonds4

About N-hex-5-yn-3-ylpyridazine-4-carboxamide

N-hex-5-yn-3-ylpyridazine-4-carboxamide (PubChem CID 115769387) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-hex-5-yn-3-ylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-hex-5-yn-3-ylpyridazine-4-carboxamide
PubChem CID115769387
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-hex-5-yn-3-ylpyridazine-4-carboxamide
SMILESC#CCC(CC)NC(=O)c1ccnnc1
InChIInChI=1S/C11H13N3O/c1-3-5-10(4-2)14-11(15)9-6-7-12-13-8-9/h1,6-8,10H,4-5H2,2H3,(H,14,15)
InChIKeyDVYFBFUFYQRRHM-UHFFFAOYSA-N
XLogP1.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromobutan-2-yl)pyridazine-4-carboxamide
CID 104672670
N-(1-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104671529
N-hex-5-yn-3-yl-4-propan-2-ylbenzamide
CID 115647299
N-hex-5-yn-3-yl-3,5-dimethylbenzamide
CID 115647283
6-bromo-N-hex-5-yn-3-ylnaphthalene-2-carboxamide
CID 115749088
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
3-chloro-N-hex-5-yn-3-yl-4-methylbenzamide
CID 115647116
4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide
CID 113241242
N-(1-cyanobutan-2-yl)pyridine-4-carboxamide
CID 62648128
3-fluoro-N-hex-5-yn-3-yl-5-methylbenzamide
CID 115660003
3-bromo-4-fluoro-N-hex-5-yn-3-ylbenzamide
CID 103707650
N-(1-chloropropan-2-yl)pyridazine-4-carboxamide
CID 104672603

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-ylpyridazine-4-carboxamide?
The IUPAC name of N-hex-5-yn-3-ylpyridazine-4-carboxamide (CID 115769387) is N-hex-5-yn-3-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-hex-5-yn-3-ylpyridazine-4-carboxamide?
The canonical SMILES for N-hex-5-yn-3-ylpyridazine-4-carboxamide is C#CCC(CC)NC(=O)c1ccnnc1.
What is the InChIKey of N-hex-5-yn-3-ylpyridazine-4-carboxamide?
The InChIKey is DVYFBFUFYQRRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-5-10(4-2)14-11(15)9-6-7-12-13-8-9/h1,6-8,10H,4-5H2,2H3,(H,14,15).
What are the key properties of N-hex-5-yn-3-ylpyridazine-4-carboxamide?
N-hex-5-yn-3-ylpyridazine-4-carboxamide has a molecular weight of 203.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-ylpyridazine-4-carboxamide is sourced from PubChem (CID 115769387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).