2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile

C17H17N5O — CID 126927306

IUPAC2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CC(Cn2nc(C3CC3)ccc2=O)C1
InChIInChI=1S/C17H17N5O/c18-8-14-2-1-7-19-17(14)21-9-12(10-21)11-22-16(23)6-5-15(20-22)13-3-4-13/h1-2,5-7,12-13H,3-4,9-11H2
InChIKeyBACWTQAYWVKTBV-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.52
Rot. Bonds4

About 2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile

2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile (PubChem CID 126927306) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
PubChem CID126927306
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CC(Cn2nc(C3CC3)ccc2=O)C1
InChIInChI=1S/C17H17N5O/c18-8-14-2-1-7-19-17(14)21-9-12(10-21)11-22-16(23)6-5-15(20-22)13-3-4-13/h1-2,5-7,12-13H,3-4,9-11H2
InChIKeyBACWTQAYWVKTBV-UHFFFAOYSA-N
XLogP1.52
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927310
3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 126865517
6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927427
6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927356
6-cyclopropyl-2-[[1-(5-cyclopropylpyrimidin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927532
6-cyclopropyl-2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927367
6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927588
2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927153
6-cyclopropyl-2-[[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927589
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126929664

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile (CID 126927306) is 2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CC(Cn2nc(C3CC3)ccc2=O)C1.
What is the InChIKey of 2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is BACWTQAYWVKTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-8-14-2-1-7-19-17(14)21-9-12(10-21)11-22-16(23)6-5-15(20-22)13-3-4-13/h1-2,5-7,12-13H,3-4,9-11H2.
What are the key properties of 2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile?
2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 307.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126927306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).