5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine

C10H14N6S — CID 147726274

IUPAC5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
SMILESNc1ccc(CCCCc2nnc(N)s2)nn1
InChIInChI=1S/C10H14N6S/c11-8-6-5-7(13-14-8)3-1-2-4-9-15-16-10(12)17-9/h5-6H,1-4H2,(H2,11,14)(H2,12,16)
InChIKeyGXNZMCHFFPMGHZ-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.06
Rot. Bonds5

About 5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine

5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine (PubChem CID 147726274) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
PubChem CID147726274
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
SMILESNc1ccc(CCCCc2nnc(N)s2)nn1
InChIInChI=1S/C10H14N6S/c11-8-6-5-7(13-14-8)3-1-2-4-9-15-16-10(12)17-9/h5-6H,1-4H2,(H2,11,14)(H2,12,16)
InChIKeyGXNZMCHFFPMGHZ-UHFFFAOYSA-N
XLogP1.06
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine (CID 147726274) is 5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine is Nc1ccc(CCCCc2nnc(N)s2)nn1.
What is the InChIKey of 5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GXNZMCHFFPMGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c11-8-6-5-7(13-14-8)3-1-2-4-9-15-16-10(12)17-9/h5-6H,1-4H2,(H2,11,14)(H2,12,16).
What are the key properties of 5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine?
5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 250.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 147726274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).