5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C16H12ClN5O2 — CID 166999458

IUPAC5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3CC3c3ccccn3)c(Cl)nn2)c(=O)[nH]1
InChIInChI=1S/C16H12ClN5O2/c17-14-10(8-5-9(8)12-3-1-2-4-18-12)6-13(21-22-14)11-7-19-16(24)20-15(11)23/h1-4,6-9H,5H2,(H2,19,20,23,24)/t8-,9?/m0/s1
InChIKeyIRKRAXPZSQNKRI-IENPIDJESA-N
MW341.76 g/mol
LogP1.84
Rot. Bonds3

About 5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 166999458) has the molecular formula C16H12ClN5O2 and a molecular weight of 341.76 g/mol. Its IUPAC name is 5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID166999458
Molecular FormulaC16H12ClN5O2
Molecular Weight341.76 g/mol
Exact Mass341.07
IUPAC Name5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3CC3c3ccccn3)c(Cl)nn2)c(=O)[nH]1
InChIInChI=1S/C16H12ClN5O2/c17-14-10(8-5-9(8)12-3-1-2-4-18-12)6-13(21-22-14)11-7-19-16(24)20-15(11)23/h1-4,6-9H,5H2,(H2,19,20,23,24)/t8-,9?/m0/s1
InChIKeyIRKRAXPZSQNKRI-IENPIDJESA-N
XLogP1.84
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 166999458) is 5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@H]3CC3c3ccccn3)c(Cl)nn2)c(=O)[nH]1.
What is the InChIKey of 5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is IRKRAXPZSQNKRI-IENPIDJESA-N. The full InChI is InChI=1S/C16H12ClN5O2/c17-14-10(8-5-9(8)12-3-1-2-4-18-12)6-13(21-22-14)11-7-19-16(24)20-15(11)23/h1-4,6-9H,5H2,(H2,19,20,23,24)/t8-,9?/m0/s1.
What are the key properties of 5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 341.76 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-[(1S)-2-pyridin-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166999458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).