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

C22H25N7O2 — CID 22002369

IUPAC3-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-1-phenylpropan-1-ol
SMILESNc1nc(N2CCN(CCC(O)c3ccccc3)CC2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C22H25N7O2/c23-22-25-19(15-20-24-21(26-29(20)22)18-7-4-14-31-18)28-12-10-27(11-13-28)9-8-17(30)16-5-2-1-3-6-16/h1-7,14-15,17,30H,8-13H2,(H2,23,25)
InChIKeyMTNGNGMKKGQTCM-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.21
Rot. Bonds6

About 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

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 (PubChem CID 22002369) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-1-phenylpropan-1-ol
PubChem CID22002369
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name3-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-1-phenylpropan-1-ol
SMILESNc1nc(N2CCN(CCC(O)c3ccccc3)CC2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C22H25N7O2/c23-22-25-19(15-20-24-21(26-29(20)22)18-7-4-14-31-18)28-12-10-27(11-13-28)9-8-17(30)16-5-2-1-3-6-16/h1-7,14-15,17,30H,8-13H2,(H2,23,25)
InChIKeyMTNGNGMKKGQTCM-UHFFFAOYSA-N
XLogP2.21
TPSA108.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
7-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002420
2-(furan-2-yl)-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002496
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
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
1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile
CID 10172970
7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10149872
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
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
7-[5-[(5-bromofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 69279534

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc(N2CCN(CCC(O)c3ccccc3)CC2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 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?
The InChIKey is MTNGNGMKKGQTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c23-22-25-19(15-20-24-21(26-29(20)22)18-7-4-14-31-18)28-12-10-27(11-13-28)9-8-17(30)16-5-2-1-3-6-16/h1-7,14-15,17,30H,8-13H2,(H2,23,25).
What are the key properties of 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?
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 has a molecular weight of 419.49 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22002369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).