2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile

C15H13N5O3 — CID 122252219

IUPAC2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCn1nc(C(=O)N2CC(Oc3cc(C#N)ccn3)C2)ccc1=O
InChIInChI=1S/C15H13N5O3/c1-19-14(21)3-2-12(18-19)15(22)20-8-11(9-20)23-13-6-10(7-16)4-5-17-13/h2-6,11H,8-9H2,1H3
InChIKeyRTMISVWBVNIGCZ-UHFFFAOYSA-N
MW311.30 g/mol
LogP-0.05
Rot. Bonds3

About 2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile

2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252219) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252219
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCn1nc(C(=O)N2CC(Oc3cc(C#N)ccn3)C2)ccc1=O
InChIInChI=1S/C15H13N5O3/c1-19-14(21)3-2-12(18-19)15(22)20-8-11(9-20)23-13-6-10(7-16)4-5-17-13/h2-6,11H,8-9H2,1H3
InChIKeyRTMISVWBVNIGCZ-UHFFFAOYSA-N
XLogP-0.05
TPSA101.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252219) is 2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile is Cn1nc(C(=O)N2CC(Oc3cc(C#N)ccn3)C2)ccc1=O.
What is the InChIKey of 2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is RTMISVWBVNIGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-19-14(21)3-2-12(18-19)15(22)20-8-11(9-20)23-13-6-10(7-16)4-5-17-13/h2-6,11H,8-9H2,1H3.
What are the key properties of 2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 311.30 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).