6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C14H20N4O3 — CID 166355177

IUPAC6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(C(=O)C[C@H]1[C@H](O)C[C@@H]1N)CC2
InChIInChI=1S/C14H20N4O3/c1-17-13(20)4-8-7-18(3-2-11(8)16-17)14(21)5-9-10(15)6-12(9)19/h4,9-10,12,19H,2-3,5-7,15H2,1H3/t9-,10+,12-/m1/s1
InChIKeyZDLXXZNBLYZLJU-JFGNBEQYSA-N
MW292.34 g/mol
LogP-1.24
Rot. Bonds2

About 6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 166355177) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID166355177
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(C(=O)C[C@H]1[C@H](O)C[C@@H]1N)CC2
InChIInChI=1S/C14H20N4O3/c1-17-13(20)4-8-7-18(3-2-11(8)16-17)14(21)5-9-10(15)6-12(9)19/h4,9-10,12,19H,2-3,5-7,15H2,1H3/t9-,10+,12-/m1/s1
InChIKeyZDLXXZNBLYZLJU-JFGNBEQYSA-N
XLogP-1.24
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 166355177) is 6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is Cn1nc2c(cc1=O)CN(C(=O)C[C@H]1[C@H](O)C[C@@H]1N)CC2.
What is the InChIKey of 6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is ZDLXXZNBLYZLJU-JFGNBEQYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-17-13(20)4-8-7-18(3-2-11(8)16-17)14(21)5-9-10(15)6-12(9)19/h4,9-10,12,19H,2-3,5-7,15H2,1H3/t9-,10+,12-/m1/s1.
What are the key properties of 6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 292.34 g/mol, XLogP of -1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 166355177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).