2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C15H16F3N7O — CID 22002481

IUPAC2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(N2CCN(CC(F)(F)F)CC2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C15H16F3N7O/c16-15(17,18)9-23-3-5-24(6-4-23)11-8-12-20-13(10-2-1-7-26-10)22-25(12)14(19)21-11/h1-2,7-8H,3-6,9H2,(H2,19,21)
InChIKeyGMFKMPWCKBIEIX-UHFFFAOYSA-N
MW367.34 g/mol
LogP1.65
Rot. Bonds3

About 2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 22002481) has the molecular formula C15H16F3N7O and a molecular weight of 367.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID22002481
Molecular FormulaC15H16F3N7O
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC Name2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(N2CCN(CC(F)(F)F)CC2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C15H16F3N7O/c16-15(17,18)9-23-3-5-24(6-4-23)11-8-12-20-13(10-2-1-7-26-10)22-25(12)14(19)21-11/h1-2,7-8H,3-6,9H2,(H2,19,21)
InChIKeyGMFKMPWCKBIEIX-UHFFFAOYSA-N
XLogP1.65
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002420
2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-1-phenylethanol
CID 22002371
2-[2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]ethoxy]ethanol
CID 22002379
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-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 18613691
3-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 22002369
2-(furan-2-yl)-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002496
7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10149872
1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile
CID 10172970
7-[(7R,8aR)-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10215517
2-(furan-2-yl)-7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 16679244
7-[3,5-dimethyl-4-(2-phenylmethoxyethyl)piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002286

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 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) is 2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(N2CCN(CC(F)(F)F)CC2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is GMFKMPWCKBIEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7O/c16-15(17,18)9-23-3-5-24(6-4-23)11-8-12-20-13(10-2-1-7-26-10)22-25(12)14(19)21-11/h1-2,7-8H,3-6,9H2,(H2,19,21).
What are the key properties of 2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 367.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 22002481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).