2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide

C19H14Cl2N6O — CID 10179953

IUPAC2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESO=C(NCCc1ccccn1)c1cn2nc(-c3ccc(Cl)c(Cl)c3)ncc2n1
InChIInChI=1S/C19H14Cl2N6O/c20-14-5-4-12(9-15(14)21)18-24-10-17-25-16(11-27(17)26-18)19(28)23-8-6-13-3-1-2-7-22-13/h1-5,7,9-11H,6,8H2,(H,23,28)
InChIKeyDINRLWTUNYWCRC-UHFFFAOYSA-N
MW413.27 g/mol
LogP3.47
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide

2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 10179953) has the molecular formula C19H14Cl2N6O and a molecular weight of 413.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID10179953
Molecular FormulaC19H14Cl2N6O
Molecular Weight413.27 g/mol
Exact Mass412.06
IUPAC Name2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESO=C(NCCc1ccccn1)c1cn2nc(-c3ccc(Cl)c(Cl)c3)ncc2n1
InChIInChI=1S/C19H14Cl2N6O/c20-14-5-4-12(9-15(14)21)18-24-10-17-25-16(11-27(17)26-18)19(28)23-8-6-13-3-1-2-7-22-13/h1-5,7,9-11H,6,8H2,(H,23,28)
InChIKeyDINRLWTUNYWCRC-UHFFFAOYSA-N
XLogP3.47
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide with MolForge

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Related Compounds

2-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134791611
6-(4-methoxy-3,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690197
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
7-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46170354
2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114917187
6-amino-3-chloro-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62153756
5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 46104817
2-methyl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 126470552
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide
CID 4783071
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417
1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 46171104

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide (CID 10179953) is 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide is O=C(NCCc1ccccn1)c1cn2nc(-c3ccc(Cl)c(Cl)c3)ncc2n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is DINRLWTUNYWCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N6O/c20-14-5-4-12(9-15(14)21)18-24-10-17-25-16(11-27(17)26-18)19(28)23-8-6-13-3-1-2-7-22-13/h1-5,7,9-11H,6,8H2,(H,23,28).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide?
2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 413.27 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 10179953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).