N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine

C15H11ClN6S — CID 94665073

IUPACN-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESClc1ccc([C@@H](Nc2ccc3nnnn3n2)c2ccsc2)cc1
InChIInChI=1S/C15H11ClN6S/c16-12-3-1-10(2-4-12)15(11-7-8-23-9-11)17-13-5-6-14-18-20-21-22(14)19-13/h1-9,15H,(H,17,19)/t15-/m1/s1
InChIKeyXRRMMMQGBFYTLG-OAHLLOKOSA-N
MW342.82 g/mol
LogP3.44
Rot. Bonds4

About N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 94665073) has the molecular formula C15H11ClN6S and a molecular weight of 342.82 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID94665073
Molecular FormulaC15H11ClN6S
Molecular Weight342.82 g/mol
Exact Mass342.05
IUPAC NameN-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESClc1ccc([C@@H](Nc2ccc3nnnn3n2)c2ccsc2)cc1
InChIInChI=1S/C15H11ClN6S/c16-12-3-1-10(2-4-12)15(11-7-8-23-9-11)17-13-5-6-14-18-20-21-22(14)19-13/h1-9,15H,(H,17,19)/t15-/m1/s1
InChIKeyXRRMMMQGBFYTLG-OAHLLOKOSA-N
XLogP3.44
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 94665073) is N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine is Clc1ccc([C@@H](Nc2ccc3nnnn3n2)c2ccsc2)cc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is XRRMMMQGBFYTLG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H11ClN6S/c16-12-3-1-10(2-4-12)15(11-7-8-23-9-11)17-13-5-6-14-18-20-21-22(14)19-13/h1-9,15H,(H,17,19)/t15-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 342.82 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 94665073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).