1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile

C22H21N7O — CID 10172970

IUPAC1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile
SMILESN#CC1(Cc2ccccc2)CCN(c2cc3nc(-c4ccco4)nn3c(N)n2)CC1
InChIInChI=1S/C22H21N7O/c23-15-22(14-16-5-2-1-3-6-16)8-10-28(11-9-22)18-13-19-25-20(17-7-4-12-30-17)27-29(19)21(24)26-18/h1-7,12-13H,8-11,14H2,(H2,24,26)
InChIKeyYJZOSTDXJAHNKP-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.32
Rot. Bonds4

About 1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile

1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile (PubChem CID 10172970) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile
PubChem CID10172970
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile
SMILESN#CC1(Cc2ccccc2)CCN(c2cc3nc(-c4ccco4)nn3c(N)n2)CC1
InChIInChI=1S/C22H21N7O/c23-15-22(14-16-5-2-1-3-6-16)8-10-28(11-9-22)18-13-19-25-20(17-7-4-12-30-17)27-29(19)21(24)26-18/h1-7,12-13H,8-11,14H2,(H2,24,26)
InChIKeyYJZOSTDXJAHNKP-UHFFFAOYSA-N
XLogP3.32
TPSA109.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.32
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
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-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002481
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
2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 18613691
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
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
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
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-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002346

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile?
The IUPAC name of 1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile (CID 10172970) is 1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile is N#CC1(Cc2ccccc2)CCN(c2cc3nc(-c4ccco4)nn3c(N)n2)CC1.
What is the InChIKey of 1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile?
The InChIKey is YJZOSTDXJAHNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c23-15-22(14-16-5-2-1-3-6-16)8-10-28(11-9-22)18-13-19-25-20(17-7-4-12-30-17)27-29(19)21(24)26-18/h1-7,12-13H,8-11,14H2,(H2,24,26).
What are the key properties of 1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile?
1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile has a molecular weight of 399.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzylpiperidine-4-carbonitrile is sourced from PubChem (CID 10172970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).