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

C19H17N5 — CID 20877991

IUPAC3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C19H17N5/c1-3-7-15(8-4-1)13-14-20-17-11-12-18-21-22-19(24(18)23-17)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,23)
InChIKeyFXNSBLBKRMXCBX-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.45
Rot. Bonds5

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

3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 20877991) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID20877991
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C19H17N5/c1-3-7-15(8-4-1)13-14-20-17-11-12-18-21-22-19(24(18)23-17)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,23)
InChIKeyFXNSBLBKRMXCBX-UHFFFAOYSA-N
XLogP3.45
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

L-Moses
CID 131698638
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10361208
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
2-(Cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779675
1,2,4-Triazolo(3,4-a)phthalazine, 3-phenyl-6-(1-pyrrolidinyl)-
CID 3071185
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-dimethyl-3-phenyl-
CID 3071194
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-diethyl-3-phenyl-
CID 3071195
1,2,4-Triazolo(3,4-a)phthalazine, 3-phenyl-6-(1-piperidinyl)-
CID 3071196
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-ethyl-N-methyl-3-phenyl-
CID 3071198
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 20877991) is 3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1.
What is the InChIKey of 3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FXNSBLBKRMXCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-3-7-15(8-4-1)13-14-20-17-11-12-18-21-22-19(24(18)23-17)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,23).
What are the key properties of 3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 315.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 20877991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).