3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide

C16H21N5O — CID 83572606

IUPAC3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide
SMILESCCCCCCNC(=O)c1c(-c2ccncc2)cnnc1N
InChIInChI=1S/C16H21N5O/c1-2-3-4-5-8-19-16(22)14-13(11-20-21-15(14)17)12-6-9-18-10-7-12/h6-7,9-11H,2-5,8H2,1H3,(H2,17,21)(H,19,22)
InChIKeyXTEKVCQZBCPJLS-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.43
Rot. Bonds7

About 3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide

3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide (PubChem CID 83572606) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide
PubChem CID83572606
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide
SMILESCCCCCCNC(=O)c1c(-c2ccncc2)cnnc1N
InChIInChI=1S/C16H21N5O/c1-2-3-4-5-8-19-16(22)14-13(11-20-21-15(14)17)12-6-9-18-10-7-12/h6-7,9-11H,2-5,8H2,1H3,(H2,17,21)(H,19,22)
InChIKeyXTEKVCQZBCPJLS-UHFFFAOYSA-N
XLogP2.43
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide?
The IUPAC name of 3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide (CID 83572606) is 3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide.
What is the SMILES notation for 3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide?
The canonical SMILES for 3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide is CCCCCCNC(=O)c1c(-c2ccncc2)cnnc1N.
What is the InChIKey of 3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide?
The InChIKey is XTEKVCQZBCPJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-3-4-5-8-19-16(22)14-13(11-20-21-15(14)17)12-6-9-18-10-7-12/h6-7,9-11H,2-5,8H2,1H3,(H2,17,21)(H,19,22).
What are the key properties of 3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide?
3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hexyl-5-pyridin-4-ylpyridazine-4-carboxamide is sourced from PubChem (CID 83572606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).