N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide

C16H15N7O2 — CID 91819041

IUPACN-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCCOc1ccc2nnc(CNC(=O)c3ccc4nc[nH]c4c3)n2n1
InChIInChI=1S/C16H15N7O2/c1-2-25-15-6-5-13-20-21-14(23(13)22-15)8-17-16(24)10-3-4-11-12(7-10)19-9-18-11/h3-7,9H,2,8H2,1H3,(H,17,24)(H,18,19)
InChIKeyZNPNYYZGMRQBEM-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.33
Rot. Bonds5

About N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide

N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 91819041) has the molecular formula C16H15N7O2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID91819041
Molecular FormulaC16H15N7O2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCCOc1ccc2nnc(CNC(=O)c3ccc4nc[nH]c4c3)n2n1
InChIInChI=1S/C16H15N7O2/c1-2-25-15-6-5-13-20-21-14(23(13)22-15)8-17-16(24)10-3-4-11-12(7-10)19-9-18-11/h3-7,9H,2,8H2,1H3,(H,17,24)(H,18,19)
InChIKeyZNPNYYZGMRQBEM-UHFFFAOYSA-N
XLogP1.33
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 115991489
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-(2-aminobutyl)-3H-benzimidazole-5-carboxamide
CID 63731791
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
methyl (2S)-2-amino-3-(3H-benzimidazole-5-carbonylamino)propanoate
CID 170637258
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[(4-ethylsulfanylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794525
N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47364492
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108541140
N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 95985146
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 91819041) is N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide is CCOc1ccc2nnc(CNC(=O)c3ccc4nc[nH]c4c3)n2n1.
What is the InChIKey of N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ZNPNYYZGMRQBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2/c1-2-25-15-6-5-13-20-21-14(23(13)22-15)8-17-16(24)10-3-4-11-12(7-10)19-9-18-11/h3-7,9H,2,8H2,1H3,(H,17,24)(H,18,19).
What are the key properties of N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91819041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).