N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine

C16H16N6O — CID 97083347

IUPACN-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1ccc2c(c1)OC1(CCC1)C[C@H]2Nc1ccc2nnnn2n1
InChIInChI=1S/C16H16N6O/c1-2-5-13-11(4-1)12(10-16(23-13)8-3-9-16)17-14-6-7-15-18-20-21-22(15)19-14/h1-2,4-7,12H,3,8-10H2,(H,17,19)/t12-/m1/s1
InChIKeyBMIJCKXYYWPQLJ-GFCCVEGCSA-N
MW308.35 g/mol
LogP2.38
Rot. Bonds2

About N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 97083347) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID97083347
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1ccc2c(c1)OC1(CCC1)C[C@H]2Nc1ccc2nnnn2n1
InChIInChI=1S/C16H16N6O/c1-2-5-13-11(4-1)12(10-16(23-13)8-3-9-16)17-14-6-7-15-18-20-21-22(15)19-14/h1-2,4-7,12H,3,8-10H2,(H,17,19)/t12-/m1/s1
InChIKeyBMIJCKXYYWPQLJ-GFCCVEGCSA-N
XLogP2.38
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine (CID 97083347) is N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine is c1ccc2c(c1)OC1(CCC1)C[C@H]2Nc1ccc2nnnn2n1.
What is the InChIKey of N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is BMIJCKXYYWPQLJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N6O/c1-2-5-13-11(4-1)12(10-16(23-13)8-3-9-16)17-14-6-7-15-18-20-21-22(15)19-14/h1-2,4-7,12H,3,8-10H2,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 308.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 97083347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).