1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one

C18H22N6O — CID 126917195

IUPAC1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one
SMILESO=c1c(NCC2CN(c3ccc(C4CC4)nn3)C2)nccn1C1CC1
InChIInChI=1S/C18H22N6O/c25-18-17(19-7-8-24(18)14-3-4-14)20-9-12-10-23(11-12)16-6-5-15(21-22-16)13-1-2-13/h5-8,12-14H,1-4,9-11H2,(H,19,20)
InChIKeyVUYRKTDQPWQFGY-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.79
Rot. Bonds6

About 1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one

1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one (PubChem CID 126917195) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one
PubChem CID126917195
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one
SMILESO=c1c(NCC2CN(c3ccc(C4CC4)nn3)C2)nccn1C1CC1
InChIInChI=1S/C18H22N6O/c25-18-17(19-7-8-24(18)14-3-4-14)20-9-12-10-23(11-12)16-6-5-15(21-22-16)13-1-2-13/h5-8,12-14H,1-4,9-11H2,(H,19,20)
InChIKeyVUYRKTDQPWQFGY-UHFFFAOYSA-N
XLogP1.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one (CID 126917195) is 1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one is O=c1c(NCC2CN(c3ccc(C4CC4)nn3)C2)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one?
The InChIKey is VUYRKTDQPWQFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c25-18-17(19-7-8-24(18)14-3-4-14)20-9-12-10-23(11-12)16-6-5-15(21-22-16)13-1-2-13/h5-8,12-14H,1-4,9-11H2,(H,19,20).
What are the key properties of 1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one?
1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one is sourced from PubChem (CID 126917195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).