N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine

C9H12N6O — CID 112731148

IUPACN-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc2nnnn2nc1NC1CCOCC1
InChIInChI=1S/C9H12N6O/c1-2-9-11-13-14-15(9)12-8(1)10-7-3-5-16-6-4-7/h1-2,7H,3-6H2,(H,10,12)
InChIKeyUISIRQGZJBMHOM-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.11
Rot. Bonds2

About N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine

N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 112731148) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID112731148
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC NameN-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc2nnnn2nc1NC1CCOCC1
InChIInChI=1S/C9H12N6O/c1-2-9-11-13-14-15(9)12-8(1)10-7-3-5-16-6-4-7/h1-2,7H,3-6H2,(H,10,12)
InChIKeyUISIRQGZJBMHOM-UHFFFAOYSA-N
XLogP0.11
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine (CID 112731148) is N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine is c1cc2nnnn2nc1NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is UISIRQGZJBMHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-2-9-11-13-14-15(9)12-8(1)10-7-3-5-16-6-4-7/h1-2,7H,3-6H2,(H,10,12).
What are the key properties of N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 220.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 112731148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).