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

C13H16N4OS — CID 80519255

IUPAC5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC1CCCC1NC(=O)c1sc2nnccc2c1N
InChIInChI=1S/C13H16N4OS/c1-7-3-2-4-9(7)16-12(18)11-10(14)8-5-6-15-17-13(8)19-11/h5-7,9H,2-4,14H2,1H3,(H,16,18)
InChIKeyMKNFUGRKXZREPI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.19
Rot. Bonds2

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

5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80519255) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80519255
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC1CCCC1NC(=O)c1sc2nnccc2c1N
InChIInChI=1S/C13H16N4OS/c1-7-3-2-4-9(7)16-12(18)11-10(14)8-5-6-15-17-13(8)19-11/h5-7,9H,2-4,14H2,1H3,(H,16,18)
InChIKeyMKNFUGRKXZREPI-UHFFFAOYSA-N
XLogP2.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519119
5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107421062
5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80517353
5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502811
3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3167506
5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514656
5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519243
5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107855028
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 82736013
3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 79510859

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80519255) is 5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide is CC1CCCC1NC(=O)c1sc2nnccc2c1N.
What is the InChIKey of 5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is MKNFUGRKXZREPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-7-3-2-4-9(7)16-12(18)11-10(14)8-5-6-15-17-13(8)19-11/h5-7,9H,2-4,14H2,1H3,(H,16,18).
What are the key properties of 5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.19, 2 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)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80519255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).