5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C14H20N4O2S — CID 107323862

IUPAC5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NCCCCCO)c(N)c2c1C
InChIInChI=1S/C14H20N4O2S/c1-8-9(2)17-18-14-10(8)11(15)12(21-14)13(20)16-6-4-3-5-7-19/h19H,3-7,15H2,1-2H3,(H,16,20)
InChIKeyLVRUGVVCUXICBM-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.78
Rot. Bonds6

About 5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 107323862) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID107323862
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NCCCCCO)c(N)c2c1C
InChIInChI=1S/C14H20N4O2S/c1-8-9(2)17-18-14-10(8)11(15)12(21-14)13(20)16-6-4-3-5-7-19/h19H,3-7,15H2,1-2H3,(H,16,20)
InChIKeyLVRUGVVCUXICBM-UHFFFAOYSA-N
XLogP1.78
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 107323862) is 5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1nnc2sc(C(=O)NCCCCCO)c(N)c2c1C.
What is the InChIKey of 5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is LVRUGVVCUXICBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-8-9(2)17-18-14-10(8)11(15)12(21-14)13(20)16-6-4-3-5-7-19/h19H,3-7,15H2,1-2H3,(H,16,20).
What are the key properties of 5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 107323862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).