6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

C18H21N7O — CID 126926229

IUPAC6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCCN1CCn1cncn1
InChIInChI=1S/C18H21N7O/c26-18-4-3-17(15-5-7-19-8-6-15)22-25(18)12-16-2-1-9-23(16)10-11-24-14-20-13-21-24/h3-8,13-14,16H,1-2,9-12H2
InChIKeyNQORUTCGQPNXAJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.06
Rot. Bonds6

About 6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126926229) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126926229
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCCN1CCn1cncn1
InChIInChI=1S/C18H21N7O/c26-18-4-3-17(15-5-7-19-8-6-15)22-25(18)12-16-2-1-9-23(16)10-11-24-14-20-13-21-24/h3-8,13-14,16H,1-2,9-12H2
InChIKeyNQORUTCGQPNXAJ-UHFFFAOYSA-N
XLogP1.06
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-pyridin-4-yl-2-[[1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926226
2-[[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926192
2-[[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926238
6-pyridin-4-yl-2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926091
2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926225
4-[[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 126926126
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925868
2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926184
6-pyridin-4-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926251
2-[[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926223
2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926185
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926318

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126926229) is 6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CC1CCCN1CCn1cncn1.
What is the InChIKey of 6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is NQORUTCGQPNXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c26-18-4-3-17(15-5-7-19-8-6-15)22-25(18)12-16-2-1-9-23(16)10-11-24-14-20-13-21-24/h3-8,13-14,16H,1-2,9-12H2.
What are the key properties of 6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 351.41 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126926229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).