N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H18N6 — CID 59339213

IUPACN-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1cccc(Nc2ccc3nnc(Cc4ccncc4)n3n2)c1
InChIInChI=1S/C19H18N6/c1-2-14-4-3-5-16(12-14)21-17-6-7-18-22-23-19(25(18)24-17)13-15-8-10-20-11-9-15/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyNHHHSSAMENUSBG-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.42
Rot. Bonds5

About N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 59339213) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID59339213
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC NameN-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1cccc(Nc2ccc3nnc(Cc4ccncc4)n3n2)c1
InChIInChI=1S/C19H18N6/c1-2-14-4-3-5-16(12-14)21-17-6-7-18-22-23-19(25(18)24-17)13-15-8-10-20-11-9-15/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyNHHHSSAMENUSBG-UHFFFAOYSA-N
XLogP3.42
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 59339213) is N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1cccc(Nc2ccc3nnc(Cc4ccncc4)n3n2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is NHHHSSAMENUSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-2-14-4-3-5-16(12-14)21-17-6-7-18-22-23-19(25(18)24-17)13-15-8-10-20-11-9-15/h3-12H,2,13H2,1H3,(H,21,24).
What are the key properties of N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 330.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 59339213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).