4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine

C13H13N7O — CID 574596

IUPAC4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine
SMILESc1ccc(-c2nnc3nnc(N4CCOCC4)nn23)cc1
InChIInChI=1S/C13H13N7O/c1-2-4-10(5-3-1)11-14-15-12-16-17-13(18-20(11)12)19-6-8-21-9-7-19/h1-5H,6-9H2
InChIKeyGLKVVHKVLGNAKG-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.42
Rot. Bonds2

About 4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine

4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine (PubChem CID 574596) has the molecular formula C13H13N7O and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine.

Molecular Properties

Compound Name4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine
PubChem CID574596
Molecular FormulaC13H13N7O
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine
SMILESc1ccc(-c2nnc3nnc(N4CCOCC4)nn23)cc1
InChIInChI=1S/C13H13N7O/c1-2-4-10(5-3-1)11-14-15-12-16-17-13(18-20(11)12)19-6-8-21-9-7-19/h1-5H,6-9H2
InChIKeyGLKVVHKVLGNAKG-UHFFFAOYSA-N
XLogP0.42
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Phenyl-6-(4-morpholinyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 1505512
3-Phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 1478281
3-(4-Fluorophenyl)-6-morpholin-4-yl[1,2,4]triazolo[4,3-b]pyridazine
CID 21443955
4-[3-(4-Chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
CID 134146845
4-{[5-(4-methylphenyl)-2H-tetrazol-2-yl]methyl}-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1202671
4-{[5-(2-fluorophenyl)-2H-tetrazol-2-yl]methyl}-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1258305
3-Phenyl-5,7-di(piperidin-1-yl)[1,2,4]triazolo[4,3-a][1,3,5]triazine
CID 264679
4-[3-(2,4-Dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
CID 134138018
4-[3-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
CID 134139836
4-[3-(2-Chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
CID 134145645
3-(4-Fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134157679
8H-1,2,4-Triazolo(3,4-c)(1,4)oxazine, 5,6-dihydro-3-phenyl-
CID 3060517

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine?
The IUPAC name of 4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine (CID 574596) is 4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine.
What is the SMILES notation for 4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine?
The canonical SMILES for 4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine is c1ccc(-c2nnc3nnc(N4CCOCC4)nn23)cc1.
What is the InChIKey of 4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine?
The InChIKey is GLKVVHKVLGNAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-2-4-10(5-3-1)11-14-15-12-16-17-13(18-20(11)12)19-6-8-21-9-7-19/h1-5H,6-9H2.
What are the key properties of 4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine?
4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine has a molecular weight of 283.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine is sourced from PubChem (CID 574596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).