4-(tetrazol-1-ylmethyl)pyridazine

C6H6N6 — CID 19771038

IUPAC4-(tetrazol-1-ylmethyl)pyridazine
SMILESc1cc(Cn2cnnn2)cnn1
InChIInChI=1S/C6H6N6/c1-2-7-8-3-6(1)4-12-5-9-10-11-12/h1-3,5H,4H2
InChIKeyPVMBSCJOGKLVBD-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.49
Rot. Bonds2

About 4-(tetrazol-1-ylmethyl)pyridazine

4-(tetrazol-1-ylmethyl)pyridazine (PubChem CID 19771038) has the molecular formula C6H6N6 and a molecular weight of 162.16 g/mol. Its IUPAC name is 4-(tetrazol-1-ylmethyl)pyridazine.

Molecular Properties

Compound Name4-(tetrazol-1-ylmethyl)pyridazine
PubChem CID19771038
Molecular FormulaC6H6N6
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name4-(tetrazol-1-ylmethyl)pyridazine
SMILESc1cc(Cn2cnnn2)cnn1
InChIInChI=1S/C6H6N6/c1-2-7-8-3-6(1)4-12-5-9-10-11-12/h1-3,5H,4H2
InChIKeyPVMBSCJOGKLVBD-UHFFFAOYSA-N
XLogP-0.49
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-ylmethyl)pyridazine?
The IUPAC name of 4-(tetrazol-1-ylmethyl)pyridazine (CID 19771038) is 4-(tetrazol-1-ylmethyl)pyridazine.
What is the SMILES notation for 4-(tetrazol-1-ylmethyl)pyridazine?
The canonical SMILES for 4-(tetrazol-1-ylmethyl)pyridazine is c1cc(Cn2cnnn2)cnn1.
What is the InChIKey of 4-(tetrazol-1-ylmethyl)pyridazine?
The InChIKey is PVMBSCJOGKLVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6/c1-2-7-8-3-6(1)4-12-5-9-10-11-12/h1-3,5H,4H2.
What are the key properties of 4-(tetrazol-1-ylmethyl)pyridazine?
4-(tetrazol-1-ylmethyl)pyridazine has a molecular weight of 162.16 g/mol, XLogP of -0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-ylmethyl)pyridazine is sourced from PubChem (CID 19771038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).