N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine

C15H11FN6S — CID 42888818

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESFc1ccc(C(Nc2ccc3nnnn3n2)c2cccs2)cc1
InChIInChI=1S/C15H11FN6S/c16-11-5-3-10(4-6-11)15(12-2-1-9-23-12)17-13-7-8-14-18-20-21-22(14)19-13/h1-9,15H,(H,17,19)
InChIKeyUUMUTCQLDSUHPP-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.92
Rot. Bonds4

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 42888818) has the molecular formula C15H11FN6S and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID42888818
Molecular FormulaC15H11FN6S
Molecular Weight326.36 g/mol
Exact Mass326.07
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESFc1ccc(C(Nc2ccc3nnnn3n2)c2cccs2)cc1
InChIInChI=1S/C15H11FN6S/c16-11-5-3-10(4-6-11)15(12-2-1-9-23-12)17-13-7-8-14-18-20-21-22(14)19-13/h1-9,15H,(H,17,19)
InChIKeyUUMUTCQLDSUHPP-UHFFFAOYSA-N
XLogP2.92
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 42888818) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine is Fc1ccc(C(Nc2ccc3nnnn3n2)c2cccs2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is UUMUTCQLDSUHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6S/c16-11-5-3-10(4-6-11)15(12-2-1-9-23-12)17-13-7-8-14-18-20-21-22(14)19-13/h1-9,15H,(H,17,19).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 326.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 42888818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).