5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide

C14H18N4OS — CID 107421062

IUPAC5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC1CCCC1CNC(=O)c1sc2nnccc2c1N
InChIInChI=1S/C14H18N4OS/c1-8-3-2-4-9(8)7-16-13(19)12-11(15)10-5-6-17-18-14(10)20-12/h5-6,8-9H,2-4,7,15H2,1H3,(H,16,19)
InChIKeyQFLKGUZZIDALCR-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.44
Rot. Bonds3

About 5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 107421062) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID107421062
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC1CCCC1CNC(=O)c1sc2nnccc2c1N
InChIInChI=1S/C14H18N4OS/c1-8-3-2-4-9(8)7-16-13(19)12-11(15)10-5-6-17-18-14(10)20-12/h5-6,8-9H,2-4,7,15H2,1H3,(H,16,19)
InChIKeyQFLKGUZZIDALCR-UHFFFAOYSA-N
XLogP2.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 107421057
5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519255
3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 107421061
5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80514556
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
5-amino-N-(cyclohex-3-en-1-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519091
5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80517353
5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519119
5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80516957
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 104766810
5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502811

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 107421062) is 5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide is CC1CCCC1CNC(=O)c1sc2nnccc2c1N.
What is the InChIKey of 5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is QFLKGUZZIDALCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-8-3-2-4-9(8)7-16-13(19)12-11(15)10-5-6-17-18-14(10)20-12/h5-6,8-9H,2-4,7,15H2,1H3,(H,16,19).
What are the key properties of 5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 107421062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).