1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

C11H15N9O — CID 80751563

IUPAC1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(N)nc(-n3cncn3)n2)CC1
InChIInChI=1S/C11H15N9O/c1-8(21)18-2-4-19(5-3-18)10-15-9(12)16-11(17-10)20-7-13-6-14-20/h6-7H,2-5H2,1H3,(H2,12,15,16,17)
InChIKeyUOHIIEZBHVOPOC-UHFFFAOYSA-N
MW289.30 g/mol
LogP-1.30
Rot. Bonds2

About 1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 80751563) has the molecular formula C11H15N9O and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
PubChem CID80751563
Molecular FormulaC11H15N9O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(N)nc(-n3cncn3)n2)CC1
InChIInChI=1S/C11H15N9O/c1-8(21)18-2-4-19(5-3-18)10-15-9(12)16-11(17-10)20-7-13-6-14-20/h6-7H,2-5H2,1H3,(H2,12,15,16,17)
InChIKeyUOHIIEZBHVOPOC-UHFFFAOYSA-N
XLogP-1.30
TPSA118.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-morpholin-4-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80767719
4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776233
[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757297
4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80816943
1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822938
4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776487
4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80852867
2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80826675
4-(4-bromopyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853993
2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80766436
3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
CID 80814266
methyl 2-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886617

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (CID 80751563) is 1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(N)nc(-n3cncn3)n2)CC1.
What is the InChIKey of 1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is UOHIIEZBHVOPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N9O/c1-8(21)18-2-4-19(5-3-18)10-15-9(12)16-11(17-10)20-7-13-6-14-20/h6-7H,2-5H2,1H3,(H2,12,15,16,17).
What are the key properties of 1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 289.30 g/mol, XLogP of -1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 80751563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).