2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide

C17H13Cl2N9O — CID 162440403

IUPAC2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide
SMILESCc1cnnn1-c1ccc(Nc2nn(-c3c(Cl)cccc3Cl)nc2C(N)=O)nc1
InChIInChI=1S/C17H13Cl2N9O/c1-9-7-22-26-27(9)10-5-6-13(21-8-10)23-17-14(16(20)29)24-28(25-17)15-11(18)3-2-4-12(15)19/h2-8H,1H3,(H2,20,29)(H,21,23,25)
InChIKeyFIDXYXFCXGLKQJ-UHFFFAOYSA-N
MW430.26 g/mol
LogP2.70
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide

2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide (PubChem CID 162440403) has the molecular formula C17H13Cl2N9O and a molecular weight of 430.26 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide
PubChem CID162440403
Molecular FormulaC17H13Cl2N9O
Molecular Weight430.26 g/mol
Exact Mass429.06
IUPAC Name2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide
SMILESCc1cnnn1-c1ccc(Nc2nn(-c3c(Cl)cccc3Cl)nc2C(N)=O)nc1
InChIInChI=1S/C17H13Cl2N9O/c1-9-7-22-26-27(9)10-5-6-13(21-8-10)23-17-14(16(20)29)24-28(25-17)15-11(18)3-2-4-12(15)19/h2-8H,1H3,(H2,20,29)(H,21,23,25)
InChIKeyFIDXYXFCXGLKQJ-UHFFFAOYSA-N
XLogP2.70
TPSA129.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide
CID 162440216
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
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
1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419686
1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440475
2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide
CID 95909871
1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
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-[[6-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-3-pyridinyl]amino]pyrazole-3-carboxamide
CID 162440288
4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 162439993

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide (CID 162440403) is 2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide is Cc1cnnn1-c1ccc(Nc2nn(-c3c(Cl)cccc3Cl)nc2C(N)=O)nc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide?
The InChIKey is FIDXYXFCXGLKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N9O/c1-9-7-22-26-27(9)10-5-6-13(21-8-10)23-17-14(16(20)29)24-28(25-17)15-11(18)3-2-4-12(15)19/h2-8H,1H3,(H2,20,29)(H,21,23,25).
What are the key properties of 2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide?
2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide has a molecular weight of 430.26 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide is sourced from PubChem (CID 162440403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).