1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone

C12H15N7O — CID 5190158

IUPAC1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H15N7O/c20-11(8-19-10-13-9-16-19)17-4-6-18(7-5-17)12-14-2-1-3-15-12/h1-3,9-10H,4-8H2
InChIKeyWQUPPCZOIWUBIP-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.58
Rot. Bonds3

About 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone

1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 5190158) has the molecular formula C12H15N7O and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID5190158
Molecular FormulaC12H15N7O
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H15N7O/c20-11(8-19-10-13-9-16-19)17-4-6-18(7-5-17)12-14-2-1-3-15-12/h1-3,9-10H,4-8H2
InChIKeyWQUPPCZOIWUBIP-UHFFFAOYSA-N
XLogP-0.58
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-Nitro-1,2,4-triazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 122195190
2-(4-Propionyl 1-piperazinyl)pyrimidine
CID 5134239
2-(4-Pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 1439360
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 45809829
(3-Methyl-1,2,4-thiadiazol-5-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
CID 71807174
2-[2-(4-Methylpyrazol-1-yl)ethylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72142066
4-(Pyrimidin-2-ylamino)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]butan-1-one
CID 72143064
2-(2-Nitroimidazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 122195191
2-(4-Pyrimidin-2-ylpiperazinyl)acetamide
CID 1439350
N,N-diethyl-2-[4-(2-pyrimidyl)piperazino]acetamide;oxalic acid
CID 651793
1-{4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-1H-pyrazole
CID 11044366
1-(4-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)-2-(1H-pyrazol-1-yl)ethanone
CID 76150617

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (CID 5190158) is 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is WQUPPCZOIWUBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O/c20-11(8-19-10-13-9-16-19)17-4-6-18(7-5-17)12-14-2-1-3-15-12/h1-3,9-10H,4-8H2.
What are the key properties of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 273.30 g/mol, XLogP of -0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 5190158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).