N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C16H12Cl2N4O — CID 54771546

IUPACN-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(Cl)cc3Cl)n2n1)C1CC1
InChIInChI=1S/C16H12Cl2N4O/c17-10-6-7-11(12(18)8-10)13-2-1-3-14-19-16(21-22(13)14)20-15(23)9-4-5-9/h1-3,6-9H,4-5H2,(H,20,21,23)
InChIKeyDJPBCUXORLDZCE-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.05
Rot. Bonds3

About N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 54771546) has the molecular formula C16H12Cl2N4O and a molecular weight of 347.21 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID54771546
Molecular FormulaC16H12Cl2N4O
Molecular Weight347.21 g/mol
Exact Mass346.04
IUPAC NameN-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(Cl)cc3Cl)n2n1)C1CC1
InChIInChI=1S/C16H12Cl2N4O/c17-10-6-7-11(12(18)8-10)13-2-1-3-14-19-16(21-22(13)14)20-15(23)9-4-5-9/h1-3,6-9H,4-5H2,(H,20,21,23)
InChIKeyDJPBCUXORLDZCE-UHFFFAOYSA-N
XLogP4.05
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 54771546) is N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(Cl)cc3Cl)n2n1)C1CC1.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is DJPBCUXORLDZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O/c17-10-6-7-11(12(18)8-10)13-2-1-3-14-19-16(21-22(13)14)20-15(23)9-4-5-9/h1-3,6-9H,4-5H2,(H,20,21,23).
What are the key properties of N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 347.21 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 54771546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).