N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine

C10H9N7 — CID 112723167

IUPACN-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc(CNc2ccc3nnnn3n2)ccn1
InChIInChI=1S/C10H9N7/c1-2-10-13-15-16-17(10)14-9(1)12-7-8-3-5-11-6-4-8/h1-6H,7H2,(H,12,14)
InChIKeyRASOENNXPCYQQP-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.53
Rot. Bonds3

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

N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 112723167) has the molecular formula C10H9N7 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID112723167
Molecular FormulaC10H9N7
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC NameN-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc(CNc2ccc3nnnn3n2)ccn1
InChIInChI=1S/C10H9N7/c1-2-10-13-15-16-17(10)14-9(1)12-7-8-3-5-11-6-4-8/h1-6H,7H2,(H,12,14)
InChIKeyRASOENNXPCYQQP-UHFFFAOYSA-N
XLogP0.53
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 112723167) is N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine is c1cc(CNc2ccc3nnnn3n2)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is RASOENNXPCYQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7/c1-2-10-13-15-16-17(10)14-9(1)12-7-8-3-5-11-6-4-8/h1-6H,7H2,(H,12,14).
What are the key properties of N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 227.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 112723167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).