(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol

C14H20N4OS — CID 126496374

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol
SMILESCc1nnc2sc(C(O)N3CCC[C@H]3C)c(N)c2c1C
InChIInChI=1S/C14H20N4OS/c1-7-5-4-6-18(7)14(19)12-11(15)10-8(2)9(3)16-17-13(10)20-12/h7,14,19H,4-6,15H2,1-3H3/t7-,14?/m1/s1
InChIKeyIDRBJHIVVYXVRW-SKKCEABJSA-N
MW292.41 g/mol
LogP2.37
Rot. Bonds2

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol (PubChem CID 126496374) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol
PubChem CID126496374
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol
SMILESCc1nnc2sc(C(O)N3CCC[C@H]3C)c(N)c2c1C
InChIInChI=1S/C14H20N4OS/c1-7-5-4-6-18(7)14(19)12-11(15)10-8(2)9(3)16-17-13(10)20-12/h7,14,19H,4-6,15H2,1-3H3/t7-,14?/m1/s1
InChIKeyIDRBJHIVVYXVRW-SKKCEABJSA-N
XLogP2.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol (CID 126496374) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol is Cc1nnc2sc(C(O)N3CCC[C@H]3C)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol?
The InChIKey is IDRBJHIVVYXVRW-SKKCEABJSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-7-5-4-6-18(7)14(19)12-11(15)10-8(2)9(3)16-17-13(10)20-12/h7,14,19H,4-6,15H2,1-3H3/t7-,14?/m1/s1.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol has a molecular weight of 292.41 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2R)-2-methylpyrrolidin-1-yl]methanol is sourced from PubChem (CID 126496374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).