4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one

C15H20ClN5O — CID 167818128

IUPAC4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one
SMILESCC(C)n1ncc2c1C(Nc1cnn(C)c(=O)c1Cl)CCC2
InChIInChI=1S/C15H20ClN5O/c1-9(2)21-14-10(7-18-21)5-4-6-11(14)19-12-8-17-20(3)15(22)13(12)16/h7-9,11,19H,4-6H2,1-3H3
InChIKeyBDZYFPAUQVXDOU-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.70
Rot. Bonds3

About 4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one (PubChem CID 167818128) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one
PubChem CID167818128
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one
SMILESCC(C)n1ncc2c1C(Nc1cnn(C)c(=O)c1Cl)CCC2
InChIInChI=1S/C15H20ClN5O/c1-9(2)21-14-10(7-18-21)5-4-6-11(14)19-12-8-17-20(3)15(22)13(12)16/h7-9,11,19H,4-6H2,1-3H3
InChIKeyBDZYFPAUQVXDOU-UHFFFAOYSA-N
XLogP2.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one (CID 167818128) is 4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one is CC(C)n1ncc2c1C(Nc1cnn(C)c(=O)c1Cl)CCC2.
What is the InChIKey of 4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one?
The InChIKey is BDZYFPAUQVXDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-9(2)21-14-10(7-18-21)5-4-6-11(14)19-12-8-17-20(3)15(22)13(12)16/h7-9,11,19H,4-6H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one has a molecular weight of 321.81 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one is sourced from PubChem (CID 167818128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).