3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile

C12H8N6O — CID 52848171

IUPAC3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile
SMILESCc1cc(C#N)ccc1Oc1ccc2nnnn2n1
InChIInChI=1S/C12H8N6O/c1-8-6-9(7-13)2-3-10(8)19-12-5-4-11-14-16-17-18(11)15-12/h2-6H,1H3
InChIKeySBZXIFLNXDYFAU-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.49
Rot. Bonds2

About 3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile

3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile (PubChem CID 52848171) has the molecular formula C12H8N6O and a molecular weight of 252.24 g/mol. Its IUPAC name is 3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile.

Molecular Properties

Compound Name3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile
PubChem CID52848171
Molecular FormulaC12H8N6O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile
SMILESCc1cc(C#N)ccc1Oc1ccc2nnnn2n1
InChIInChI=1S/C12H8N6O/c1-8-6-9(7-13)2-3-10(8)19-12-5-4-11-14-16-17-18(11)15-12/h2-6H,1H3
InChIKeySBZXIFLNXDYFAU-UHFFFAOYSA-N
XLogP1.49
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile?
The IUPAC name of 3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile (CID 52848171) is 3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile.
What is the SMILES notation for 3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile?
The canonical SMILES for 3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile is Cc1cc(C#N)ccc1Oc1ccc2nnnn2n1.
What is the InChIKey of 3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile?
The InChIKey is SBZXIFLNXDYFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O/c1-8-6-9(7-13)2-3-10(8)19-12-5-4-11-14-16-17-18(11)15-12/h2-6H,1H3.
What are the key properties of 3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile?
3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile has a molecular weight of 252.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)benzonitrile is sourced from PubChem (CID 52848171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).