3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile

C18H20N6O — CID 126865517

IUPAC3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCC(Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C18H20N6O/c19-11-15-5-8-20-21-18(15)23-9-6-13(7-10-23)12-24-17(25)4-3-16(22-24)14-1-2-14/h3-5,8,13-14H,1-2,6-7,9-10,12H2
InChIKeyBCOUGNWDCVPASY-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.70
Rot. Bonds4

About 3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile

3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 126865517) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
PubChem CID126865517
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCC(Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C18H20N6O/c19-11-15-5-8-20-21-18(15)23-9-6-13(7-10-23)12-24-17(25)4-3-16(22-24)14-1-2-14/h3-5,8,13-14H,1-2,6-7,9-10,12H2
InChIKeyBCOUGNWDCVPASY-UHFFFAOYSA-N
XLogP1.70
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 126862595
2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927306
6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126865320
3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 80515322
6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865550
6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126865291
6-cyclopropyl-2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927310
6-cyclopropyl-2-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865258
2-[[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865313
6-cyclopropyl-2-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865502
6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865301
3-[4-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperazin-1-yl]pyridazine-4-carbonitrile
CID 126914273

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile (CID 126865517) is 3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile is N#Cc1ccnnc1N1CCC(Cn2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of 3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is BCOUGNWDCVPASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c19-11-15-5-8-20-21-18(15)23-9-6-13(7-10-23)12-24-17(25)4-3-16(22-24)14-1-2-14/h3-5,8,13-14H,1-2,6-7,9-10,12H2.
What are the key properties of 3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 126865517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).