2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine

C12H16N6S — CID 162702698

IUPAC2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(NC2CCC(c3cccnn3)CC2)s1
InChIInChI=1S/C12H16N6S/c13-11-17-18-12(19-11)15-9-5-3-8(4-6-9)10-2-1-7-14-16-10/h1-2,7-9H,3-6H2,(H2,13,17)(H,15,18)
InChIKeyBMWBSYFFDRZQFC-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.05
Rot. Bonds3

About 2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine

2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine (PubChem CID 162702698) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine
PubChem CID162702698
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(NC2CCC(c3cccnn3)CC2)s1
InChIInChI=1S/C12H16N6S/c13-11-17-18-12(19-11)15-9-5-3-8(4-6-9)10-2-1-7-14-16-10/h1-2,7-9H,3-6H2,(H2,13,17)(H,15,18)
InChIKeyBMWBSYFFDRZQFC-UHFFFAOYSA-N
XLogP2.05
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine (CID 162702698) is 2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine is Nc1nnc(NC2CCC(c3cccnn3)CC2)s1.
What is the InChIKey of 2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is BMWBSYFFDRZQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c13-11-17-18-12(19-11)15-9-5-3-8(4-6-9)10-2-1-7-14-16-10/h1-2,7-9H,3-6H2,(H2,13,17)(H,15,18).
What are the key properties of 2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine?
2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 276.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 162702698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).