(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;2-quinolin-6-ylacetic acid

C53H46Cl5N17O3 — CID 161279222

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;2-quinolin-6-ylacetic acid
SMILESClc1ccc(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.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;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;1-2H2/i;;;;;1D;
InChIKeyVEVVQGYMLFWZBA-OGKIIUBNSA-N
MW1147.34 g/mol
LogP8.76
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;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;2-quinolin-6-ylacetic acid (PubChem CID 161279222) has the molecular formula C53H46Cl5N17O3 and a molecular weight of 1147.34 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;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;2-quinolin-6-ylacetic acid
PubChem CID161279222
Molecular FormulaC53H46Cl5N17O3
Molecular Weight1147.34 g/mol
Exact Mass1144.25
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;2-quinolin-6-ylacetic acid
SMILESClc1ccc(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.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;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;1-2H2/i;;;;;1D;
InChIKeyVEVVQGYMLFWZBA-OGKIIUBNSA-N
XLogP8.76
TPSA303.55 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001147.34
LogP ≤ 58.76
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;2-quinolin-6-ylacetic acid with MolForge

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Related Compounds

3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline;2-chloropyridine-3,4-diamine;(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamine;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazo[4,5-c]pyridin-4-amine;2-(3-chloroquinolin-6-yl)acetic acid
CID 157197044
5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride
CID 158886608
2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate
CID 158987128
(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;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid
CID 159377630
2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine;methane
CID 160163651
6-[(6-chloro-7H-purin-8-yl)methyl]quinoline;6-chloropyrimidine-4,5-diamine;(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamine;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-8-(quinolin-6-ylmethyl)-7H-purin-6-amine;2-quinolin-6-ylacetic acid
CID 160167555
5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;methane;hydrochloride
CID 160285021
5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride
CID 160377250
2-[(3-chloroquinolin-6-yl)methyl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanamine
CID 162118234
(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
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride
CID 163661680

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;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;2-quinolin-6-ylacetic acid (CID 161279222) 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;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;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;2-quinolin-6-ylacetic acid is 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;2-quinolin-6-ylacetic acid?
The InChIKey is VEVVQGYMLFWZBA-OGKIIUBNSA-N. The full InChI is InChI=1S/C16H13ClN4O.C15H10ClN5.C11H9NO2.C5H6ClN3.C4H2Cl2N2.C2H2.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;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;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;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;2-quinolin-6-ylacetic acid has a molecular weight of 1147.34 g/mol, XLogP of 8.76, 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;2-quinolin-6-ylacetic acid is sourced from PubChem (CID 161279222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).