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

C14H15N7O2 — CID 134142540

IUPAC4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine
SMILESCOc1ccc(-c2nnc3nnc(N4CCOCC4)n3n2)cc1
InChIInChI=1S/C14H15N7O2/c1-22-11-4-2-10(3-5-11)12-15-16-13-17-18-14(21(13)19-12)20-6-8-23-9-7-20/h2-5H,6-9H2,1H3
InChIKeyBJVRUYGABPWTIC-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.43
Rot. Bonds3

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

4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine (PubChem CID 134142540) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine
PubChem CID134142540
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine
SMILESCOc1ccc(-c2nnc3nnc(N4CCOCC4)n3n2)cc1
InChIInChI=1S/C14H15N7O2/c1-22-11-4-2-10(3-5-11)12-15-16-13-17-18-14(21(13)19-12)20-6-8-23-9-7-20/h2-5H,6-9H2,1H3
InChIKeyBJVRUYGABPWTIC-UHFFFAOYSA-N
XLogP0.43
TPSA90.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-{[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]methyl}-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 1272711
(E)-2-[[4-(1-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512011
(E)-3-fluoro-2-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512070
(Z)-2-[[4-(1-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369087
4-{[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1258102
6-(4-Methoxyphenyl)-3-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134157169
5-N-benzyl-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 162666644
7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134791472
3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134793905
3-(3,4-dimethoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 132377278
4-[5-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-1H-1,2,4-triazol-3-yl]morpholine
CID 163488688
4-[6-(4-Methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine
CID 16679906

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine?
The IUPAC name of 4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine (CID 134142540) is 4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine?
The canonical SMILES for 4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine is COc1ccc(-c2nnc3nnc(N4CCOCC4)n3n2)cc1.
What is the InChIKey of 4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine?
The InChIKey is BJVRUYGABPWTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-22-11-4-2-10(3-5-11)12-15-16-13-17-18-14(21(13)19-12)20-6-8-23-9-7-20/h2-5H,6-9H2,1H3.
What are the key properties of 4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine?
4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine has a molecular weight of 313.32 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl]morpholine is sourced from PubChem (CID 134142540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).