N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

C10H12N8S — CID 166217980

IUPACN-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)c1nnc(CNc2ccc3nnnn3n2)s1
InChIInChI=1S/C10H12N8S/c1-6(2)10-14-13-9(19-10)5-11-7-3-4-8-12-16-17-18(8)15-7/h3-4,6H,5H2,1-2H3,(H,11,15)
InChIKeyGULUFYJLLYHRRF-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.11
Rot. Bonds4

About N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 166217980) has the molecular formula C10H12N8S and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID166217980
Molecular FormulaC10H12N8S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC NameN-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)c1nnc(CNc2ccc3nnnn3n2)s1
InChIInChI=1S/C10H12N8S/c1-6(2)10-14-13-9(19-10)5-11-7-3-4-8-12-16-17-18(8)15-7/h3-4,6H,5H2,1-2H3,(H,11,15)
InChIKeyGULUFYJLLYHRRF-UHFFFAOYSA-N
XLogP1.11
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 166217980) is N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is CC(C)c1nnc(CNc2ccc3nnnn3n2)s1.
What is the InChIKey of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is GULUFYJLLYHRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8S/c1-6(2)10-14-13-9(19-10)5-11-7-3-4-8-12-16-17-18(8)15-7/h3-4,6H,5H2,1-2H3,(H,11,15).
What are the key properties of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 276.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 166217980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).