2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one

C20H23ClN6O2 — CID 126937300

IUPAC2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
SMILESCOc1cccc(CNC2CCC(n3nc(-n4cncn4)ccc3=O)CC2)c1Cl
InChIInChI=1S/C20H23ClN6O2/c1-29-17-4-2-3-14(20(17)21)11-23-15-5-7-16(8-6-15)27-19(28)10-9-18(25-27)26-13-22-12-24-26/h2-4,9-10,12-13,15-16,23H,5-8,11H2,1H3
InChIKeyRCAHTTQPCFZPFT-UHFFFAOYSA-N
MW414.90 g/mol
LogP2.76
Rot. Bonds6

About 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one

2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one (PubChem CID 126937300) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
PubChem CID126937300
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC Name2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
SMILESCOc1cccc(CNC2CCC(n3nc(-n4cncn4)ccc3=O)CC2)c1Cl
InChIInChI=1S/C20H23ClN6O2/c1-29-17-4-2-3-14(20(17)21)11-23-15-5-7-16(8-6-15)27-19(28)10-9-18(25-27)26-13-22-12-24-26/h2-4,9-10,12-13,15-16,23H,5-8,11H2,1H3
InChIKeyRCAHTTQPCFZPFT-UHFFFAOYSA-N
XLogP2.76
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one with MolForge

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Related Compounds

2-[4-(cyclopropylmethylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937259
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936695
2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937277
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935754
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937265
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937398
N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-benzofuran-2-carboxamide
CID 126937171
2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937273
2-[4-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937327
2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940339
5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide
CID 126937172
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43314018

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The IUPAC name of 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one (CID 126937300) is 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one is COc1cccc(CNC2CCC(n3nc(-n4cncn4)ccc3=O)CC2)c1Cl.
What is the InChIKey of 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The InChIKey is RCAHTTQPCFZPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2/c1-29-17-4-2-3-14(20(17)21)11-23-15-5-7-16(8-6-15)27-19(28)10-9-18(25-27)26-13-22-12-24-26/h2-4,9-10,12-13,15-16,23H,5-8,11H2,1H3.
What are the key properties of 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one has a molecular weight of 414.90 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one is sourced from PubChem (CID 126937300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).