2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide

C19H12Cl2N10O2 — CID 162440216

IUPAC2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide
SMILESNC(=O)c1nn(-c2c(Cl)cccc2Cl)nc1Nc1ccc(-c2nnc3cc[nH]c(=O)n23)nc1
InChIInChI=1S/C19H12Cl2N10O2/c20-10-2-1-3-11(21)15(10)31-28-14(16(22)32)17(29-31)25-9-4-5-12(24-8-9)18-27-26-13-6-7-23-19(33)30(13)18/h1-8H,(H2,22,32)(H,23,33)(H,25,29)
InChIKeyDRKMMSTYWXJXNE-UHFFFAOYSA-N
MW483.28 g/mol
LogP2.21
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide

2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide (PubChem CID 162440216) has the molecular formula C19H12Cl2N10O2 and a molecular weight of 483.28 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide
PubChem CID162440216
Molecular FormulaC19H12Cl2N10O2
Molecular Weight483.28 g/mol
Exact Mass482.05
IUPAC Name2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide
SMILESNC(=O)c1nn(-c2c(Cl)cccc2Cl)nc1Nc1ccc(-c2nnc3cc[nH]c(=O)n23)nc1
InChIInChI=1S/C19H12Cl2N10O2/c20-10-2-1-3-11(21)15(10)31-28-14(16(22)32)17(29-31)25-9-4-5-12(24-8-9)18-27-26-13-6-7-23-19(33)30(13)18/h1-8H,(H2,22,32)(H,23,33)(H,25,29)
InChIKeyDRKMMSTYWXJXNE-UHFFFAOYSA-N
XLogP2.21
TPSA161.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.28
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(2,6-dichlorophenyl)-5-[[6-(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide
CID 166934886
2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide
CID 166934887
1-(2,6-dichlorophenyl)-4-[[6-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-3-pyridinyl]amino]pyrazole-3-carboxamide
CID 162440288
2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide
CID 162440388
5-[4-(3-cyanoazetidine-1-carbonyl)anilino]-2-(2,6-dichlorophenyl)triazole-4-carboxamide
CID 162440531
2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide
CID 162440403
4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 162440202
1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide
CID 162440340
1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
3-(3,4-dichloroanilino)pyrazine-2-carboxamide
CID 122372729
1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide
CID 162440198
1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440475

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide (CID 162440216) is 2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide is NC(=O)c1nn(-c2c(Cl)cccc2Cl)nc1Nc1ccc(-c2nnc3cc[nH]c(=O)n23)nc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide?
The InChIKey is DRKMMSTYWXJXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N10O2/c20-10-2-1-3-11(21)15(10)31-28-14(16(22)32)17(29-31)25-9-4-5-12(24-8-9)18-27-26-13-6-7-23-19(33)30(13)18/h1-8H,(H2,22,32)(H,23,33)(H,25,29).
What are the key properties of 2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide?
2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide has a molecular weight of 483.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide is sourced from PubChem (CID 162440216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).