6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide

C18H20ClN7O2 — CID 118462873

IUPAC6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1cccc(-c2cn(C(C)C)nn2)c1OC
InChIInChI=1S/C18H20ClN7O2/c1-10(2)26-9-14(22-25-26)11-6-5-7-12(17(11)28-4)21-13-8-15(19)23-24-16(13)18(27)20-3/h5-10H,1-4H3,(H,20,27)(H,21,23)
InChIKeyQBWAGQRERLZQSM-UHFFFAOYSA-N
MW401.86 g/mol
LogP3.08
Rot. Bonds6

About 6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide

6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide (PubChem CID 118462873) has the molecular formula C18H20ClN7O2 and a molecular weight of 401.86 g/mol. Its IUPAC name is 6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
PubChem CID118462873
Molecular FormulaC18H20ClN7O2
Molecular Weight401.86 g/mol
Exact Mass401.14
IUPAC Name6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1cccc(-c2cn(C(C)C)nn2)c1OC
InChIInChI=1S/C18H20ClN7O2/c1-10(2)26-9-14(22-25-26)11-6-5-7-12(17(11)28-4)21-13-8-15(19)23-24-16(13)18(27)20-3/h5-10H,1-4H3,(H,20,27)(H,21,23)
InChIKeyQBWAGQRERLZQSM-UHFFFAOYSA-N
XLogP3.08
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-4-[2-methoxy-3-(1-methylimidazo[2,1-e]pyrazol-6-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 170781741
6-chloro-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide;4,6-dichloro-N-methylpyridazine-3-carboxamide;2-methoxy-3-(2-methyltriazol-4-yl)aniline
CID 167636599
6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 167560703
tert-butyl N-[2-[3-[3-[[6-chloro-3-(methylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]-1,2,4-triazol-1-yl]ethyl]carbamate
CID 169087140
6-chloro-4-[3-[1-(2-fluoroethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]pyridazine-3-carboxylic acid
CID 170439699
6-chloro-4-[3-(N'-hydroxycarbamimidoyl)-2-methoxyanilino]-N-(trihydroxymethyl)pyridazine-3-carboxamide
CID 175624791
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 157463237
[4-[3-[[6-[(2,6-dimethylpyrimidin-4-yl)amino]-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]triazol-1-yl] 2,2-dimethylbutanoate
CID 150052628
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 159808982
4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide
CID 170719716
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(3-methyl-2-oxoimidazol-1-yl)pyridazine-3-carboxamide
CID 162120099
6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 168873777

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide (CID 118462873) is 6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(Cl)cc1Nc1cccc(-c2cn(C(C)C)nn2)c1OC.
What is the InChIKey of 6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
The InChIKey is QBWAGQRERLZQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O2/c1-10(2)26-9-14(22-25-26)11-6-5-7-12(17(11)28-4)21-13-8-15(19)23-24-16(13)18(27)20-3/h5-10H,1-4H3,(H,20,27)(H,21,23).
What are the key properties of 6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 401.86 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 118462873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).