N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine

C7H7N5S — CID 106896580

IUPACN-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESc1cnnc(CNc2nncs2)c1
InChIInChI=1S/C7H7N5S/c1-2-6(11-9-3-1)4-8-7-12-10-5-13-7/h1-3,5H,4H2,(H,8,12)
InChIKeyFYEVGMVCOKADAL-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.94
Rot. Bonds3

About N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine

N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106896580) has the molecular formula C7H7N5S and a molecular weight of 193.24 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID106896580
Molecular FormulaC7H7N5S
Molecular Weight193.24 g/mol
Exact Mass193.04
IUPAC NameN-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESc1cnnc(CNc2nncs2)c1
InChIInChI=1S/C7H7N5S/c1-2-6(11-9-3-1)4-8-7-12-10-5-13-7/h1-3,5H,4H2,(H,8,12)
InChIKeyFYEVGMVCOKADAL-UHFFFAOYSA-N
XLogP0.94
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 106896580) is N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine is c1cnnc(CNc2nncs2)c1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FYEVGMVCOKADAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S/c1-2-6(11-9-3-1)4-8-7-12-10-5-13-7/h1-3,5H,4H2,(H,8,12).
What are the key properties of N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 193.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106896580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).