[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone

C19H18N8O2 — CID 51051038

IUPAC[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone
SMILESNc1nc(N2CCN(C(=O)c3ccccc3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H18N8O2/c20-17-22-18(23-19-21-15(24-27(17)19)14-7-4-12-29-14)26-10-8-25(9-11-26)16(28)13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,20,21,22,23,24)
InChIKeyCMRHPKUITVWMDE-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.32
Rot. Bonds3

About [4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone

[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 51051038) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is [4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone
PubChem CID51051038
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone
SMILESNc1nc(N2CCN(C(=O)c3ccccc3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H18N8O2/c20-17-22-18(23-19-21-15(24-27(17)19)14-7-4-12-29-14)26-10-8-25(9-11-26)16(28)13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,20,21,22,23,24)
InChIKeyCMRHPKUITVWMDE-UHFFFAOYSA-N
XLogP1.32
TPSA118.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone (CID 51051038) is [4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone is Nc1nc(N2CCN(C(=O)c3ccccc3)CC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of [4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is CMRHPKUITVWMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c20-17-22-18(23-19-21-15(24-27(17)19)14-7-4-12-29-14)26-10-8-25(9-11-26)16(28)13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,20,21,22,23,24).
What are the key properties of [4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone?
[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 390.41 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 51051038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).