[4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine

C12H13N7OS — CID 80920292

IUPAC[4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H13N7OS/c1-2-20-10-16-9(19-13)17-12(18-10)21-11-14-7-5-3-4-6-8(7)15-11/h3-6H,2,13H2,1H3,(H,14,15)(H,16,17,18,19)
InChIKeyFASCISXVEIFMIK-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.58
Rot. Bonds5

About [4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine

[4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80920292) has the molecular formula C12H13N7OS and a molecular weight of 303.35 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80920292
Molecular FormulaC12H13N7OS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name[4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H13N7OS/c1-2-20-10-16-9(19-13)17-12(18-10)21-11-14-7-5-3-4-6-8(7)15-11/h3-6H,2,13H2,1H3,(H,14,15)(H,16,17,18,19)
InChIKeyFASCISXVEIFMIK-UHFFFAOYSA-N
XLogP1.58
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine 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

4-(1H-benzimidazol-2-ylsulfanyl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80920631
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
CID 80930355
2-(1H-benzimidazol-2-ylsulfanyl)pyrimidine-5-carbaldehyde
CID 113388621
2-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 106999419
(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924638
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80893393
6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine
CID 80949788
4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943283
4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80928193
4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine
CID 80869687
(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938096

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine (CID 80920292) is [4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine is CCOc1nc(NN)nc(Sc2nc3ccccc3[nH]2)n1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is FASCISXVEIFMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7OS/c1-2-20-10-16-9(19-13)17-12(18-10)21-11-14-7-5-3-4-6-8(7)15-11/h3-6H,2,13H2,1H3,(H,14,15)(H,16,17,18,19).
What are the key properties of [4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 303.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80920292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).