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

C12H20N6O — CID 112938312

IUPAC1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
SMILESCCCNc1cnnc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C12H20N6O/c1-3-4-13-11-9-14-16-12(15-11)18-7-5-17(6-8-18)10(2)19/h9H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyRRFBATAGWVTBIS-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.36
Rot. Bonds4

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

1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 112938312) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
PubChem CID112938312
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
SMILESCCCNc1cnnc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C12H20N6O/c1-3-4-13-11-9-14-16-12(15-11)18-7-5-17(6-8-18)10(2)19/h9H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyRRFBATAGWVTBIS-UHFFFAOYSA-N
XLogP0.36
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[5-(prop-2-enylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112939499
1-[4-[5-[(4-methylphenyl)methylamino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947004
1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 80767680
3-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-5-amine
CID 112938300
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine
CID 112938357
1-[4-[5-[(3-methylphenyl)methylamino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947003
ethyl 4-[5-[3-(dimethylamino)propylamino]-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112945459
1-[4-[5-(diethylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947046
N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958107
1-[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80767201
1-[4-[5-[4-(diethylamino)-2-methylanilino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947157
ethyl 4-[5-(pyridin-4-ylmethylamino)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112952493

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone (CID 112938312) is 1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone is CCCNc1cnnc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is RRFBATAGWVTBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-3-4-13-11-9-14-16-12(15-11)18-7-5-17(6-8-18)10(2)19/h9H,3-8H2,1-2H3,(H,13,15,16).
What are the key properties of 1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 264.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112938312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).