1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone

C21H21N7O2 — CID 23570263

IUPAC1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1
InChIInChI=1S/C21H21N7O2/c1-14(29)26-7-9-27(10-8-26)16-5-2-4-15(12-16)17-13-19-24-20(18-6-3-11-30-18)25-28(19)21(22)23-17/h2-6,11-13H,7-10H2,1H3,(H2,22,23)
InChIKeyYUCUGKQWVXVDGA-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.30
Rot. Bonds3

About 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone

1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone (PubChem CID 23570263) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone
PubChem CID23570263
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1
InChIInChI=1S/C21H21N7O2/c1-14(29)26-7-9-27(10-8-26)16-5-2-4-15(12-16)17-13-19-24-20(18-6-3-11-30-18)25-28(19)21(22)23-17/h2-6,11-13H,7-10H2,1H3,(H2,22,23)
InChIKeyYUCUGKQWVXVDGA-UHFFFAOYSA-N
XLogP2.30
TPSA105.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-one;2-(furan-2-yl)-7-[3-(4-methylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 160513768
7-[3-[4-[(3,4-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 23570297
2-(furan-2-yl)-7-[2-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10174770
7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 23570286
2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol
CID 12052555
2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzaldehyde
CID 86603876
2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002481
acetic acid;7-(furan-2-yl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 110170704
2-(furan-2-yl)-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002496
2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 146327727
furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 44968166
7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10149872

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone (CID 23570263) is 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.
What is the InChIKey of 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is YUCUGKQWVXVDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-14(29)26-7-9-27(10-8-26)16-5-2-4-15(12-16)17-13-19-24-20(18-6-3-11-30-18)25-28(19)21(22)23-17/h2-6,11-13H,7-10H2,1H3,(H2,22,23).
What are the key properties of 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone?
1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 403.45 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 23570263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).