1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone

C12H18N6O2 — CID 144656075

IUPAC1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nncc(NC3COC3)n2)CC1
InChIInChI=1S/C12H18N6O2/c1-9(19)17-2-4-18(5-3-17)12-15-11(6-13-16-12)14-10-7-20-8-10/h6,10H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyWLAFQXXBJYGKDU-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.65
Rot. Bonds3

About 1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone

1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 144656075) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
PubChem CID144656075
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nncc(NC3COC3)n2)CC1
InChIInChI=1S/C12H18N6O2/c1-9(19)17-2-4-18(5-3-17)12-15-11(6-13-16-12)14-10-7-20-8-10/h6,10H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyWLAFQXXBJYGKDU-UHFFFAOYSA-N
XLogP-0.65
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone (CID 144656075) is 1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nncc(NC3COC3)n2)CC1.
What is the InChIKey of 1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is WLAFQXXBJYGKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-9(19)17-2-4-18(5-3-17)12-15-11(6-13-16-12)14-10-7-20-8-10/h6,10H,2-5,7-8H2,1H3,(H,14,15,16).
What are the key properties of 1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 278.32 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(oxetan-3-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 144656075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).