1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine

C38H42Cl4N10O3 — CID 164952016

IUPAC1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine
SMILESClc1nnc(CC[C@@H]2CCCO2)c2ccncc12.Clc1nnc(CC[C@@H]2CCCO2)c2cnccc12.Clc1nnc(Cl)c2cnccc12.NC[C@@H]1CCCO1
InChIInChI=1S/2C13H14ClN3O.C7H3Cl2N3.C5H11NO/c14-13-10-5-6-15-8-11(10)12(16-17-13)4-3-9-2-1-7-18-9;14-13-11-8-15-6-5-10(11)12(16-17-13)4-3-9-2-1-7-18-9;8-6-4-1-2-10-3-5(4)7(9)12-11-6;6-4-5-2-1-3-7-5/h2*5-6,8-9H,1-4,7H2;1-3H;5H,1-4,6H2/t2*9-;;5-/m00.0/s1
InChIKeyAQUHGQOTHKZWTR-JQBVFWKTSA-N
MW828.63 g/mol
LogP8.04
Rot. Bonds7

About 1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine

1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine (PubChem CID 164952016) has the molecular formula C38H42Cl4N10O3 and a molecular weight of 828.63 g/mol. Its IUPAC name is 1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound Name1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine
PubChem CID164952016
Molecular FormulaC38H42Cl4N10O3
Molecular Weight828.63 g/mol
Exact Mass826.22
IUPAC Name1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine
SMILESClc1nnc(CC[C@@H]2CCCO2)c2ccncc12.Clc1nnc(CC[C@@H]2CCCO2)c2cnccc12.Clc1nnc(Cl)c2cnccc12.NC[C@@H]1CCCO1
InChIInChI=1S/2C13H14ClN3O.C7H3Cl2N3.C5H11NO/c14-13-10-5-6-15-8-11(10)12(16-17-13)4-3-9-2-1-7-18-9;14-13-11-8-15-6-5-10(11)12(16-17-13)4-3-9-2-1-7-18-9;8-6-4-1-2-10-3-5(4)7(9)12-11-6;6-4-5-2-1-3-7-5/h2*5-6,8-9H,1-4,7H2;1-3H;5H,1-4,6H2/t2*9-;;5-/m00.0/s1
InChIKeyAQUHGQOTHKZWTR-JQBVFWKTSA-N
XLogP8.04
TPSA169.72 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500828.63
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine with MolForge

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Related Compounds

4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine
CID 164956031
1-Amino-2-methylpropan-2-ol;4-(1-chloropyrido[3,4-d]pyridazin-4-yl)-2-methylbutan-2-ol;1,4-dichloropyrido[3,4-d]pyridazine
CID 164958031
4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine
CID 164968432
1-Chloro-4-(3-methoxy-3-methylbutyl)pyrido[3,4-d]pyridazine;4-chloro-1-(3-methoxy-3-methylbutyl)pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;2-methoxy-2-methylpropan-1-amine
CID 165103151
1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine
CID 167557952

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of 1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine (CID 164952016) is 1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for 1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for 1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine is Clc1nnc(CC[C@@H]2CCCO2)c2ccncc12.Clc1nnc(CC[C@@H]2CCCO2)c2cnccc12.Clc1nnc(Cl)c2cnccc12.NC[C@@H]1CCCO1.
What is the InChIKey of 1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?
The InChIKey is AQUHGQOTHKZWTR-JQBVFWKTSA-N. The full InChI is InChI=1S/2C13H14ClN3O.C7H3Cl2N3.C5H11NO/c14-13-10-5-6-15-8-11(10)12(16-17-13)4-3-9-2-1-7-18-9;14-13-11-8-15-6-5-10(11)12(16-17-13)4-3-9-2-1-7-18-9;8-6-4-1-2-10-3-5(4)7(9)12-11-6;6-4-5-2-1-3-7-5/h2*5-6,8-9H,1-4,7H2;1-3H;5H,1-4,6H2/t2*9-;;5-/m00.0/s1.
What are the key properties of 1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?
1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine has a molecular weight of 828.63 g/mol, XLogP of 8.04, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 164952016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).