7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine

C8H11N5 — CID 142405800

IUPAC7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine
SMILESCc1cc2nnnn2nc1C(C)C
InChIInChI=1S/C8H11N5/c1-5(2)8-6(3)4-7-9-11-12-13(7)10-8/h4-5H,1-3H3
InChIKeySOOAVENGQIKHQB-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.95
Rot. Bonds1

About 7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine

7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine (PubChem CID 142405800) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine
PubChem CID142405800
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine
SMILESCc1cc2nnnn2nc1C(C)C
InChIInChI=1S/C8H11N5/c1-5(2)8-6(3)4-7-9-11-12-13(7)10-8/h4-5H,1-3H3
InChIKeySOOAVENGQIKHQB-UHFFFAOYSA-N
XLogP0.95
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine?
The IUPAC name of 7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine (CID 142405800) is 7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine?
The canonical SMILES for 7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine is Cc1cc2nnnn2nc1C(C)C.
What is the InChIKey of 7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine?
The InChIKey is SOOAVENGQIKHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-5(2)8-6(3)4-7-9-11-12-13(7)10-8/h4-5H,1-3H3.
What are the key properties of 7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine?
7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine has a molecular weight of 177.21 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-propan-2-yltetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 142405800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).