(6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid

C54H50Cl5N17O3 — CID 162125501

IUPAC(6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid
SMILESC.Clc1ccc(Cl)nn1.Clc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.NCc1ccc(Cl)nn1.NN.O=C(Cc1ccc2ncccc2c1)NCc1ccc(Cl)nn1.O=C(O)Cc1ccc2ncccc2c1.[2H]C#C
InChIInChI=1S/C16H13ClN4O.C15H10ClN5.C11H9NO2.C5H6ClN3.C4H2Cl2N2.C2H2.CH4.H4N2/c17-15-6-4-13(20-21-15)10-19-16(22)9-11-3-5-14-12(8-11)2-1-7-18-14;16-13-5-6-14-18-19-15(21(14)20-13)9-10-3-4-12-11(8-10)2-1-7-17-12;13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10;6-5-2-1-4(3-7)8-9-5;5-3-1-2-4(6)8-7-3;1-2;;1-2/h1-8H,9-10H2,(H,19,22);1-8H,9H2;1-6H,7H2,(H,13,14);1-2H,3,7H2;1-2H;1-2H;1H4;1-2H2/i;;;;;1D;;
InChIKeyZHYTYRHSIRWEDE-RLGPSGOWSA-N
MW1163.38 g/mol
LogP9.39
Rot. Bonds9

About (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid

(6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid (PubChem CID 162125501) has the molecular formula C54H50Cl5N17O3 and a molecular weight of 1163.38 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid
PubChem CID162125501
Molecular FormulaC54H50Cl5N17O3
Molecular Weight1163.38 g/mol
Exact Mass1160.28
IUPAC Name(6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid
SMILESC.Clc1ccc(Cl)nn1.Clc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.NCc1ccc(Cl)nn1.NN.O=C(Cc1ccc2ncccc2c1)NCc1ccc(Cl)nn1.O=C(O)Cc1ccc2ncccc2c1.[2H]C#C
InChIInChI=1S/C16H13ClN4O.C15H10ClN5.C11H9NO2.C5H6ClN3.C4H2Cl2N2.C2H2.CH4.H4N2/c17-15-6-4-13(20-21-15)10-19-16(22)9-11-3-5-14-12(8-11)2-1-7-18-14;16-13-5-6-14-18-19-15(21(14)20-13)9-10-3-4-12-11(8-10)2-1-7-17-12;13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10;6-5-2-1-4(3-7)8-9-5;5-3-1-2-4(6)8-7-3;1-2;;1-2/h1-8H,9-10H2,(H,19,22);1-8H,9H2;1-6H,7H2,(H,13,14);1-2H,3,7H2;1-2H;1-2H;1H4;1-2H2/i;;;;;1D;;
InChIKeyZHYTYRHSIRWEDE-RLGPSGOWSA-N
XLogP9.39
TPSA303.55 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001163.38
LogP ≤ 59.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid with MolForge

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Related Compounds

[1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]urea
CID 78153620
2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide
CID 24779725
(Z)-N-methoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine
CID 86652039
2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
CID 95934378
N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide
CID 24964451
3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide
CID 24963387
6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 24965874
6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-2-one
CID 175976359
2-[1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]oxypropan-1-ol
CID 76720055
6-[[6-[4-(4-methylsulfonylphenoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 24968366
3-[1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]oxypropane-1,2-diol
CID 76720074
2-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indazol-1-yl]ethanol
CID 177380756

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid?
The IUPAC name of (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid (CID 162125501) is (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid.
What is the SMILES notation for (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid?
The canonical SMILES for (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid is C.Clc1ccc(Cl)nn1.Clc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.NCc1ccc(Cl)nn1.NN.O=C(Cc1ccc2ncccc2c1)NCc1ccc(Cl)nn1.O=C(O)Cc1ccc2ncccc2c1.[2H]C#C.
What is the InChIKey of (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid?
The InChIKey is ZHYTYRHSIRWEDE-RLGPSGOWSA-N. The full InChI is InChI=1S/C16H13ClN4O.C15H10ClN5.C11H9NO2.C5H6ClN3.C4H2Cl2N2.C2H2.CH4.H4N2/c17-15-6-4-13(20-21-15)10-19-16(22)9-11-3-5-14-12(8-11)2-1-7-18-14;16-13-5-6-14-18-19-15(21(14)20-13)9-10-3-4-12-11(8-10)2-1-7-17-12;13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10;6-5-2-1-4(3-7)8-9-5;5-3-1-2-4(6)8-7-3;1-2;;1-2/h1-8H,9-10H2,(H,19,22);1-8H,9H2;1-6H,7H2,(H,13,14);1-2H,3,7H2;1-2H;1-2H;1H4;1-2H2/i;;;;;1D;;.
What are the key properties of (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid?
(6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid has a molecular weight of 1163.38 g/mol, XLogP of 9.39, 9 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;deuterioethyne;3,6-dichloropyridazine;hydrazine;methane;2-quinolin-6-ylacetic acid is sourced from PubChem (CID 162125501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).