N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide

C17H13N5O2 — CID 7217841

IUPACN-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide
SMILESCc1nnc2ccc(-c3ccc(NC(=O)c4ccco4)cc3)nn12
InChIInChI=1S/C17H13N5O2/c1-11-19-20-16-9-8-14(21-22(11)16)12-4-6-13(7-5-12)18-17(23)15-3-2-10-24-15/h2-10H,1H3,(H,18,23)
InChIKeyVXJJIYJOAZZSGL-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.95
Rot. Bonds3

About N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide

N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide (PubChem CID 7217841) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide
PubChem CID7217841
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC NameN-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide
SMILESCc1nnc2ccc(-c3ccc(NC(=O)c4ccco4)cc3)nn12
InChIInChI=1S/C17H13N5O2/c1-11-19-20-16-9-8-14(21-22(11)16)12-4-6-13(7-5-12)18-17(23)15-3-2-10-24-15/h2-10H,1H3,(H,18,23)
InChIKeyVXJJIYJOAZZSGL-UHFFFAOYSA-N
XLogP2.95
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide (CID 7217841) is N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide is Cc1nnc2ccc(-c3ccc(NC(=O)c4ccco4)cc3)nn12.
What is the InChIKey of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide?
The InChIKey is VXJJIYJOAZZSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-11-19-20-16-9-8-14(21-22(11)16)12-4-6-13(7-5-12)18-17(23)15-3-2-10-24-15/h2-10H,1H3,(H,18,23).
What are the key properties of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide?
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 7217841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).