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

C16H11N5O2 — CID 7217790

IUPACN-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccco1
InChIInChI=1S/C16H11N5O2/c22-16(14-5-2-8-23-14)18-12-4-1-3-11(9-12)13-6-7-15-19-17-10-21(15)20-13/h1-10H,(H,18,22)
InChIKeyZGJOEMVNEMLRGW-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.64
Rot. Bonds3

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

N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide (PubChem CID 7217790) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide
PubChem CID7217790
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC NameN-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccco1
InChIInChI=1S/C16H11N5O2/c22-16(14-5-2-8-23-14)18-12-4-1-3-11(9-12)13-6-7-15-19-17-10-21(15)20-13/h1-10H,(H,18,22)
InChIKeyZGJOEMVNEMLRGW-UHFFFAOYSA-N
XLogP2.64
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide (CID 7217790) is N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccco1.
What is the InChIKey of N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide?
The InChIKey is ZGJOEMVNEMLRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c22-16(14-5-2-8-23-14)18-12-4-1-3-11(9-12)13-6-7-15-19-17-10-21(15)20-13/h1-10H,(H,18,22).
What are the key properties of N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide?
N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 7217790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).