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

C13H14N6O2 — CID 60520977

IUPACN-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide
SMILESCc1nnc2ccc(NCCNC(=O)c3ccco3)nn12
InChIInChI=1S/C13H14N6O2/c1-9-16-17-12-5-4-11(18-19(9)12)14-6-7-15-13(20)10-3-2-8-21-10/h2-5,8H,6-7H2,1H3,(H,14,18)(H,15,20)
InChIKeySXLGUBCSEOTPGV-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.87
Rot. Bonds5

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

N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide (PubChem CID 60520977) has the molecular formula C13H14N6O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide
PubChem CID60520977
Molecular FormulaC13H14N6O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC NameN-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide
SMILESCc1nnc2ccc(NCCNC(=O)c3ccco3)nn12
InChIInChI=1S/C13H14N6O2/c1-9-16-17-12-5-4-11(18-19(9)12)14-6-7-15-13(20)10-3-2-8-21-10/h2-5,8H,6-7H2,1H3,(H,14,18)(H,15,20)
InChIKeySXLGUBCSEOTPGV-UHFFFAOYSA-N
XLogP0.87
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]furan-2-carboxamide
CID 122324472
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 30797202
N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide
CID 31661006
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]ethyl]furan-2-carboxamide
CID 38231081
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110914716
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide
CID 121059019
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133309557

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide (CID 60520977) is N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide is Cc1nnc2ccc(NCCNC(=O)c3ccco3)nn12.
What is the InChIKey of N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide?
The InChIKey is SXLGUBCSEOTPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-9-16-17-12-5-4-11(18-19(9)12)14-6-7-15-13(20)10-3-2-8-21-10/h2-5,8H,6-7H2,1H3,(H,14,18)(H,15,20).
What are the key properties of N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide?
N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 60520977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).