N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

C14H16FN7S — CID 128990869

IUPACN-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESF[C@H]1C[C@@H](CNc2ccc3nnnn3n2)N(Cc2cccs2)C1
InChIInChI=1S/C14H16FN7S/c15-10-6-11(21(8-10)9-12-2-1-5-23-12)7-16-13-3-4-14-17-19-20-22(14)18-13/h1-5,10-11H,6-9H2,(H,16,18)/t10-,11-/m0/s1
InChIKeyYWKOQEODIGUABV-QWRGUYRKSA-N
MW333.40 g/mol
LogP1.61
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 128990869) has the molecular formula C14H16FN7S and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID128990869
Molecular FormulaC14H16FN7S
Molecular Weight333.40 g/mol
Exact Mass333.12
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESF[C@H]1C[C@@H](CNc2ccc3nnnn3n2)N(Cc2cccs2)C1
InChIInChI=1S/C14H16FN7S/c15-10-6-11(21(8-10)9-12-2-1-5-23-12)7-16-13-3-4-14-17-19-20-22(14)18-13/h1-5,10-11H,6-9H2,(H,16,18)/t10-,11-/m0/s1
InChIKeyYWKOQEODIGUABV-QWRGUYRKSA-N
XLogP1.61
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 128990869) is N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is F[C@H]1C[C@@H](CNc2ccc3nnnn3n2)N(Cc2cccs2)C1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is YWKOQEODIGUABV-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H16FN7S/c15-10-6-11(21(8-10)9-12-2-1-5-23-12)7-16-13-3-4-14-17-19-20-22(14)18-13/h1-5,10-11H,6-9H2,(H,16,18)/t10-,11-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 333.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 128990869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).