N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine

C17H20N6O2 — CID 94436252

IUPACN-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc(COC[C@H]2CCCCO2)cc(Nc2ccc3nnnn3n2)c1
InChIInChI=1S/C17H20N6O2/c1-2-9-25-15(6-1)12-24-11-13-4-3-5-14(10-13)18-16-7-8-17-19-21-22-23(17)20-16/h3-5,7-8,10,15H,1-2,6,9,11-12H2,(H,18,20)/t15-/m1/s1
InChIKeyQBLSSEIJOMBPND-OAHLLOKOSA-N
MW340.39 g/mol
LogP2.35
Rot. Bonds6

About N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 94436252) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID94436252
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc(COC[C@H]2CCCCO2)cc(Nc2ccc3nnnn3n2)c1
InChIInChI=1S/C17H20N6O2/c1-2-9-25-15(6-1)12-24-11-13-4-3-5-14(10-13)18-16-7-8-17-19-21-22-23(17)20-16/h3-5,7-8,10,15H,1-2,6,9,11-12H2,(H,18,20)/t15-/m1/s1
InChIKeyQBLSSEIJOMBPND-OAHLLOKOSA-N
XLogP2.35
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 94436252) is N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine is c1cc(COC[C@H]2CCCCO2)cc(Nc2ccc3nnnn3n2)c1.
What is the InChIKey of N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is QBLSSEIJOMBPND-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-2-9-25-15(6-1)12-24-11-13-4-3-5-14(10-13)18-16-7-8-17-19-21-22-23(17)20-16/h3-5,7-8,10,15H,1-2,6,9,11-12H2,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 340.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 94436252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).