5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

C15H17N5O3 — CID 171362427

IUPAC5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCOC[C@@H]1C[C@H]1c1cc(C2CNC(=O)NC2=O)nn2ccnc12
InChIInChI=1S/C15H17N5O3/c1-23-7-8-4-9(8)10-5-12(19-20-3-2-16-13(10)20)11-6-17-15(22)18-14(11)21/h2-3,5,8-9,11H,4,6-7H2,1H3,(H2,17,18,21,22)/t8-,9+,11?/m0/s1
InChIKeyUXPWGJFMYJKOIH-VUHGHZMFSA-N
MW315.33 g/mol
LogP0.40
Rot. Bonds4

About 5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171362427) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171362427
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCOC[C@@H]1C[C@H]1c1cc(C2CNC(=O)NC2=O)nn2ccnc12
InChIInChI=1S/C15H17N5O3/c1-23-7-8-4-9(8)10-5-12(19-20-3-2-16-13(10)20)11-6-17-15(22)18-14(11)21/h2-3,5,8-9,11H,4,6-7H2,1H3,(H2,17,18,21,22)/t8-,9+,11?/m0/s1
InChIKeyUXPWGJFMYJKOIH-VUHGHZMFSA-N
XLogP0.40
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171362427) is 5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is COC[C@@H]1C[C@H]1c1cc(C2CNC(=O)NC2=O)nn2ccnc12.
What is the InChIKey of 5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is UXPWGJFMYJKOIH-VUHGHZMFSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-23-7-8-4-9(8)10-5-12(19-20-3-2-16-13(10)20)11-6-17-15(22)18-14(11)21/h2-3,5,8-9,11H,4,6-7H2,1H3,(H2,17,18,21,22)/t8-,9+,11?/m0/s1.
What are the key properties of 5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 315.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171362427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).