6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide

C19H20N8O3 — CID 90142086

IUPAC6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1ncn(C)n1
InChIInChI=1S/C19H20N8O3/c1-27-9-21-18(26-27)11-4-3-5-12(16(11)30-2)22-13-8-14(23-19(29)10-6-7-10)24-25-15(13)17(20)28/h3-5,8-10H,6-7H2,1-2H3,(H2,20,28)(H2,22,23,24,29)
InChIKeyCWESVQODKSOXPL-UHFFFAOYSA-N
MW408.42 g/mol
LogP1.47
Rot. Bonds7

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide (PubChem CID 90142086) has the molecular formula C19H20N8O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
PubChem CID90142086
Molecular FormulaC19H20N8O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1ncn(C)n1
InChIInChI=1S/C19H20N8O3/c1-27-9-21-18(26-27)11-4-3-5-12(16(11)30-2)22-13-8-14(23-19(29)10-6-7-10)24-25-15(13)17(20)28/h3-5,8-10H,6-7H2,1-2H3,(H2,20,28)(H2,22,23,24,29)
InChIKeyCWESVQODKSOXPL-UHFFFAOYSA-N
XLogP1.47
TPSA149.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
6-[(1,1-dioxothietane-3-carbonyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 166780262
6-(cycloprop-2-ene-1-carbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxylic acid
CID 163765686
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[[methyl(prop-2-ynyl)carbamoyl]amino]pyridazine-3-carboxamide
CID 154666277
N-[5-(2-amino-1,1-difluoroethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166858310
N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 154663016
6-(cyclopropanecarbonylamino)-4-[3-[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]pyridazine-3-carboxylic acid
CID 175512496
N-[5-(2-fluorocyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 155279406
N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142335046
5-(cyclopropanecarbonylamino)-6-fluoro-3-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 167316505
6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170719727

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide (CID 90142086) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1ncn(C)n1.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide?
The InChIKey is CWESVQODKSOXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O3/c1-27-9-21-18(26-27)11-4-3-5-12(16(11)30-2)22-13-8-14(23-19(29)10-6-7-10)24-25-15(13)17(20)28/h3-5,8-10H,6-7H2,1-2H3,(H2,20,28)(H2,22,23,24,29).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 90142086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).