7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C23H25N5O — CID 50800419

IUPAC7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccco3)nn2c(N2CCC(Cc3ccccc3)CC2)c1C
InChIInChI=1S/C23H25N5O/c1-16-17(2)24-23-25-21(20-9-6-14-29-20)26-28(23)22(16)27-12-10-19(11-13-27)15-18-7-4-3-5-8-18/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyZPBKUPAMJAPZML-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.46
Rot. Bonds4

About 7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 50800419) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID50800419
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccco3)nn2c(N2CCC(Cc3ccccc3)CC2)c1C
InChIInChI=1S/C23H25N5O/c1-16-17(2)24-23-25-21(20-9-6-14-29-20)26-28(23)22(16)27-12-10-19(11-13-27)15-18-7-4-3-5-8-18/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyZPBKUPAMJAPZML-UHFFFAOYSA-N
XLogP4.46
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline
CID 91964253
N-[(2-chlorophenyl)methyl]-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800206
4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine
CID 110454841
ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
CID 20961762
[2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 62779816
5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 10135804
4-benzyl-1-(2-methyl-5-nitro-1,2,4-triazol-3-yl)piperidine
CID 3781447
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312245
2-(furan-2-yl)-5-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 69432652
3-[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499272

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 50800419) is 7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(-c3ccco3)nn2c(N2CCC(Cc3ccccc3)CC2)c1C.
What is the InChIKey of 7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZPBKUPAMJAPZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-17(2)24-23-25-21(20-9-6-14-29-20)26-28(23)22(16)27-12-10-19(11-13-27)15-18-7-4-3-5-8-18/h3-9,14,19H,10-13,15H2,1-2H3.
What are the key properties of 7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 387.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 50800419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).