6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C16H19N5O2 — CID 126923445

IUPAC6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=C(c1cnc[nH]1)N1CCCC1Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H19N5O2/c22-15-6-5-13(11-3-4-11)19-21(15)9-12-2-1-7-20(12)16(23)14-8-17-10-18-14/h5-6,8,10-12H,1-4,7,9H2,(H,17,18)
InChIKeySCLQTIOXGVCAFE-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.15
Rot. Bonds4

About 6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923445) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923445
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=C(c1cnc[nH]1)N1CCCC1Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H19N5O2/c22-15-6-5-13(11-3-4-11)19-21(15)9-12-2-1-7-20(12)16(23)14-8-17-10-18-14/h5-6,8,10-12H,1-4,7,9H2,(H,17,18)
InChIKeySCLQTIOXGVCAFE-UHFFFAOYSA-N
XLogP1.15
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924280
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95342850
6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923438
N-cyclopentyl-2-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]pyrrolidine-1-carboxamide
CID 126923428
6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923404
1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 97085040
6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923570
6-cyclopropyl-2-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923415
2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126923501
6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923606
6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923609
2-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925665

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923445) is 6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=C(c1cnc[nH]1)N1CCCC1Cn1nc(C2CC2)ccc1=O.
What is the InChIKey of 6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is SCLQTIOXGVCAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-15-6-5-13(11-3-4-11)19-21(15)9-12-2-1-7-20(12)16(23)14-8-17-10-18-14/h5-6,8,10-12H,1-4,7,9H2,(H,17,18).
What are the key properties of 6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 313.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).