6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one

C18H23N5O — CID 126935165

IUPAC6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
SMILESCc1cnc(NC2CCC(n3nc(C4CC4)ccc3=O)CC2)nc1
InChIInChI=1S/C18H23N5O/c1-12-10-19-18(20-11-12)21-14-4-6-15(7-5-14)23-17(24)9-8-16(22-23)13-2-3-13/h8-11,13-15H,2-7H2,1H3,(H,19,20,21)
InChIKeyZYCVVWVNXVOPRM-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.81
Rot. Bonds4

About 6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one

6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126935165) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126935165
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
SMILESCc1cnc(NC2CCC(n3nc(C4CC4)ccc3=O)CC2)nc1
InChIInChI=1S/C18H23N5O/c1-12-10-19-18(20-11-12)21-14-4-6-15(7-5-14)23-17(24)9-8-16(22-23)13-2-3-13/h8-11,13-15H,2-7H2,1H3,(H,19,20,21)
InChIKeyZYCVVWVNXVOPRM-UHFFFAOYSA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one (CID 126935165) is 6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one is Cc1cnc(NC2CCC(n3nc(C4CC4)ccc3=O)CC2)nc1.
What is the InChIKey of 6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is ZYCVVWVNXVOPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-10-19-18(20-11-12)21-14-4-6-15(7-5-14)23-17(24)9-8-16(22-23)13-2-3-13/h8-11,13-15H,2-7H2,1H3,(H,19,20,21).
What are the key properties of 6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one?
6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 325.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126935165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).