3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C14H15N5 — CID 29128244

IUPAC3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCCc3ccccc3)nn12
InChIInChI=1S/C14H15N5/c1-11-16-17-14-8-7-13(18-19(11)14)15-10-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,15,18)
InChIKeyPVZFGNSODNZOQM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.09
Rot. Bonds4

About 3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 29128244) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID29128244
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCCc3ccccc3)nn12
InChIInChI=1S/C14H15N5/c1-11-16-17-14-8-7-13(18-19(11)14)15-10-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,15,18)
InChIKeyPVZFGNSODNZOQM-UHFFFAOYSA-N
XLogP2.09
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 29128244) is 3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(NCCc3ccccc3)nn12.
What is the InChIKey of 3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is PVZFGNSODNZOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-11-16-17-14-8-7-13(18-19(11)14)15-10-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,15,18).
What are the key properties of 3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 253.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 29128244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).