1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone

C14H15N5O2 — CID 16679907

IUPAC1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nnc(N3CCOCC3)nn2)c1
InChIInChI=1S/C14H15N5O2/c1-10(20)11-3-2-4-12(9-11)13-15-17-14(18-16-13)19-5-7-21-8-6-19/h2-4,9H,5-8H2,1H3
InChIKeyVFQPBKFAXDGPIM-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.97
Rot. Bonds3

About 1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone

1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone (PubChem CID 16679907) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone
PubChem CID16679907
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nnc(N3CCOCC3)nn2)c1
InChIInChI=1S/C14H15N5O2/c1-10(20)11-3-2-4-12(9-11)13-15-17-14(18-16-13)19-5-7-21-8-6-19/h2-4,9H,5-8H2,1H3
InChIKeyVFQPBKFAXDGPIM-UHFFFAOYSA-N
XLogP0.97
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide
CID 122658923
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
N-(3-acetylphenyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206676
N-(3-acetylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228678
1-[3-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 122340119
3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 123635804
1-[3-[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]phenyl]ethanone
CID 117083990
3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353831
N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16585685
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 18580169
N-(3-acetylphenyl)morpholine-4-carbothioamide
CID 19653714

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone (CID 16679907) is 1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone is CC(=O)c1cccc(-c2nnc(N3CCOCC3)nn2)c1.
What is the InChIKey of 1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone?
The InChIKey is VFQPBKFAXDGPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-10(20)11-3-2-4-12(9-11)13-15-17-14(18-16-13)19-5-7-21-8-6-19/h2-4,9H,5-8H2,1H3.
What are the key properties of 1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone?
1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone has a molecular weight of 285.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone is sourced from PubChem (CID 16679907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).