5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide

C13H13BrClN5O — CID 114387307

IUPAC5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(Br)cnc2Cl)nc1CC
InChIInChI=1S/C13H13BrClN5O/c1-3-9-10(4-2)19-20-13(17-9)18-12(21)8-5-7(14)6-16-11(8)15/h5-6H,3-4H2,1-2H3,(H,17,18,20,21)
InChIKeyYWJCJYWZGYCRIE-UHFFFAOYSA-N
MW370.64 g/mol
LogP3.06
Rot. Bonds4

About 5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide (PubChem CID 114387307) has the molecular formula C13H13BrClN5O and a molecular weight of 370.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide
PubChem CID114387307
Molecular FormulaC13H13BrClN5O
Molecular Weight370.64 g/mol
Exact Mass369.00
IUPAC Name5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(Br)cnc2Cl)nc1CC
InChIInChI=1S/C13H13BrClN5O/c1-3-9-10(4-2)19-20-13(17-9)18-12(21)8-5-7(14)6-16-11(8)15/h5-6H,3-4H2,1-2H3,(H,17,18,20,21)
InChIKeyYWJCJYWZGYCRIE-UHFFFAOYSA-N
XLogP3.06
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.64
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide (CID 114387307) is 5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide is CCc1nnc(NC(=O)c2cc(Br)cnc2Cl)nc1CC.
What is the InChIKey of 5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide?
The InChIKey is YWJCJYWZGYCRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN5O/c1-3-9-10(4-2)19-20-13(17-9)18-12(21)8-5-7(14)6-16-11(8)15/h5-6H,3-4H2,1-2H3,(H,17,18,20,21).
What are the key properties of 5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide has a molecular weight of 370.64 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114387307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).