N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

C18H20N6O — CID 146078871

IUPACN-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCCN1CCc2c(cccc2NC(=O)c2ccc3nnc(C)n3n2)C1
InChIInChI=1S/C18H20N6O/c1-3-23-10-9-14-13(11-23)5-4-6-15(14)19-18(25)16-7-8-17-21-20-12(2)24(17)22-16/h4-8H,3,9-11H2,1-2H3,(H,19,25)
InChIKeyCNXFTPKHMABMBC-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.06
Rot. Bonds3

About N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 146078871) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID146078871
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCCN1CCc2c(cccc2NC(=O)c2ccc3nnc(C)n3n2)C1
InChIInChI=1S/C18H20N6O/c1-3-23-10-9-14-13(11-23)5-4-6-15(14)19-18(25)16-7-8-17-21-20-12(2)24(17)22-16/h4-8H,3,9-11H2,1-2H3,(H,19,25)
InChIKeyCNXFTPKHMABMBC-UHFFFAOYSA-N
XLogP2.06
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide
CID 146080226
3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 146079132
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide
CID 3038738
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 146126036
ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
CID 162382873
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide
CID 126806060
3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 146079000
1-[2-(2-hydroxy-2-methylpropyl)-3,4-dihydro-1H-isoquinolin-5-yl]-3-phenylurea
CID 111111655
2-cyclopropyl-N-[2-(2-hydroxy-2-methylpropyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1H-pyrrole-3-carboxamide
CID 126810591
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide
CID 7532386
N-[2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 166232149
N-[(2R)-butan-2-yl]-1-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-methyltriazole-4-carboxamide
CID 95299800

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 146078871) is N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is CCN1CCc2c(cccc2NC(=O)c2ccc3nnc(C)n3n2)C1.
What is the InChIKey of N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is CNXFTPKHMABMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-3-23-10-9-14-13(11-23)5-4-6-15(14)19-18(25)16-7-8-17-21-20-12(2)24(17)22-16/h4-8H,3,9-11H2,1-2H3,(H,19,25).
What are the key properties of N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 146078871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).