1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one

C14H13N7O — CID 133296489

IUPAC1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one
SMILESO=C1C(Nc2ccc3nnnn3n2)CCN1c1ccccc1
InChIInChI=1S/C14H13N7O/c22-14-11(8-9-20(14)10-4-2-1-3-5-10)15-12-6-7-13-16-18-19-21(13)17-12/h1-7,11H,8-9H2,(H,15,17)
InChIKeyNQVAQNKKUSYRBO-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.74
Rot. Bonds3

About 1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one

1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one (PubChem CID 133296489) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one
PubChem CID133296489
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one
SMILESO=C1C(Nc2ccc3nnnn3n2)CCN1c1ccccc1
InChIInChI=1S/C14H13N7O/c22-14-11(8-9-20(14)10-4-2-1-3-5-10)15-12-6-7-13-16-18-19-21(13)17-12/h1-7,11H,8-9H2,(H,15,17)
InChIKeyNQVAQNKKUSYRBO-UHFFFAOYSA-N
XLogP0.74
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate
CID 133296390
1-phenyl-3-(pyrido[2,3-b]pyrazin-6-ylamino)pyrrolidin-2-one
CID 75370344
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 56816190
N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine
CID 112731148
1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]pyrrolidin-2-one
CID 75377340
1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one
CID 71921367
(3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one
CID 97307820
N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136339
(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one
CID 95255148
3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353967
4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide
CID 164619903
N-(2,2,3,3-tetramethylcyclopropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 79566525

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one (CID 133296489) is 1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one is O=C1C(Nc2ccc3nnnn3n2)CCN1c1ccccc1.
What is the InChIKey of 1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one?
The InChIKey is NQVAQNKKUSYRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c22-14-11(8-9-20(14)10-4-2-1-3-5-10)15-12-6-7-13-16-18-19-21(13)17-12/h1-7,11H,8-9H2,(H,15,17).
What are the key properties of 1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one?
1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one has a molecular weight of 295.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 133296489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).