2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one

C19H21N5O — CID 126934424

IUPAC2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
SMILESCc1nnc(NC2CCC(n3ncccc3=O)CC2)c2ccccc12
InChIInChI=1S/C19H21N5O/c1-13-16-5-2-3-6-17(16)19(23-22-13)21-14-8-10-15(11-9-14)24-18(25)7-4-12-20-24/h2-7,12,14-15H,8-11H2,1H3,(H,21,23)
InChIKeyNNKFAKISELHNJI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.09
Rot. Bonds3

About 2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one

2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126934424) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126934424
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
SMILESCc1nnc(NC2CCC(n3ncccc3=O)CC2)c2ccccc12
InChIInChI=1S/C19H21N5O/c1-13-16-5-2-3-6-17(16)19(23-22-13)21-14-8-10-15(11-9-14)24-18(25)7-4-12-20-24/h2-7,12,14-15H,8-11H2,1H3,(H,21,23)
InChIKeyNNKFAKISELHNJI-UHFFFAOYSA-N
XLogP3.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one (CID 126934424) is 2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one is Cc1nnc(NC2CCC(n3ncccc3=O)CC2)c2ccccc12.
What is the InChIKey of 2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is NNKFAKISELHNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-16-5-2-3-6-17(16)19(23-22-13)21-14-8-10-15(11-9-14)24-18(25)7-4-12-20-24/h2-7,12,14-15H,8-11H2,1H3,(H,21,23).
What are the key properties of 2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one?
2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 335.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).