6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine

C19H24ClN3O — CID 88874178

IUPAC6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine
SMILESCOc1nnc(Cl)c(C)c1NC[C@H]1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H24ClN3O/c1-13-17(19(24-2)23-22-18(13)20)21-12-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3,(H,21,22)/t14-,16+/m0/s1
InChIKeyXGMQVKQHODLSMO-GOEBONIOSA-N
MW345.87 g/mol
LogP4.83
Rot. Bonds5

About 6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine

6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine (PubChem CID 88874178) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine
PubChem CID88874178
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine
SMILESCOc1nnc(Cl)c(C)c1NC[C@H]1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H24ClN3O/c1-13-17(19(24-2)23-22-18(13)20)21-12-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3,(H,21,22)/t14-,16+/m0/s1
InChIKeyXGMQVKQHODLSMO-GOEBONIOSA-N
XLogP4.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine?
The IUPAC name of 6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine (CID 88874178) is 6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine.
What is the SMILES notation for 6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine?
The canonical SMILES for 6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine is COc1nnc(Cl)c(C)c1NC[C@H]1CCC[C@@H](c2ccccc2)C1.
What is the InChIKey of 6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine?
The InChIKey is XGMQVKQHODLSMO-GOEBONIOSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-13-17(19(24-2)23-22-18(13)20)21-12-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3,(H,21,22)/t14-,16+/m0/s1.
What are the key properties of 6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine?
6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine has a molecular weight of 345.87 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine is sourced from PubChem (CID 88874178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).