N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide

C18H20N8O — CID 175978064

IUPACN-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnccc1Nc1cccc2c1N(C)C(C)c1nn(C)nc1-2
InChIInChI=1S/C18H20N8O/c1-10-14-15(24-26(4)23-14)11-6-5-7-13(17(11)25(10)3)21-12-8-9-20-22-16(12)18(27)19-2/h5-10H,1-4H3,(H,19,27)(H,20,21)/i2D3
InChIKeyBQHKDPMTGGTTNJ-BMSJAHLVSA-N
MW367.43 g/mol
LogP1.89
Rot. Bonds4

About N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide

N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide (PubChem CID 175978064) has the molecular formula C18H20N8O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide
PubChem CID175978064
Molecular FormulaC18H20N8O
Molecular Weight367.43 g/mol
Exact Mass367.19
IUPAC NameN-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnccc1Nc1cccc2c1N(C)C(C)c1nn(C)nc1-2
InChIInChI=1S/C18H20N8O/c1-10-14-15(24-26(4)23-14)11-6-5-7-13(17(11)25(10)3)21-12-8-9-20-22-16(12)18(27)19-2/h5-10H,1-4H3,(H,19,27)(H,20,21)/i2D3
InChIKeyBQHKDPMTGGTTNJ-BMSJAHLVSA-N
XLogP1.89
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide
CID 164902866
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]pyridine-3-carboxamide
CID 164903027
4-[(6-methyl-5H-pyrimido[5,4-c]quinolin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963342
4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175977984
4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963350
4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963348
6-[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]-N-(trideuteriomethyl)-4-[[(4R)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]pyridazine-3-carboxamide
CID 172615725
6-(cyclopropanecarbonylamino)-4-[[(4S)-2,4,5,9-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177044531
6-(cyclopropanecarbonylamino)-4-[(2',5'-dimethylspiro[oxetane-3,4'-triazolo[4,5-c]quinoline]-6'-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 172615679
6-(cyclopropanecarbonylamino)-4-[[(4S)-9-cyclopropyl-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177044685
6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177044862
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide
CID 164944176

Frequently Asked Questions

What is the IUPAC name of N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide (CID 175978064) is N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnccc1Nc1cccc2c1N(C)C(C)c1nn(C)nc1-2.
What is the InChIKey of N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide?
The InChIKey is BQHKDPMTGGTTNJ-BMSJAHLVSA-N. The full InChI is InChI=1S/C18H20N8O/c1-10-14-15(24-26(4)23-14)11-6-5-7-13(17(11)25(10)3)21-12-8-9-20-22-16(12)18(27)19-2/h5-10H,1-4H3,(H,19,27)(H,20,21)/i2D3.
What are the key properties of N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide?
N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 175978064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).