5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

C21H25N5O — CID 166395952

IUPAC5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc(N3CCCC(C4CCOCC4)C3)nc3ncnn23)cc1
InChIInChI=1S/C21H25N5O/c1-2-5-17(6-3-1)19-13-20(24-21-22-15-23-26(19)21)25-10-4-7-18(14-25)16-8-11-27-12-9-16/h1-3,5-6,13,15-16,18H,4,7-12,14H2
InChIKeySIFDXRYBOOSZSU-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.43
Rot. Bonds3

About 5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 166395952) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID166395952
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc(N3CCCC(C4CCOCC4)C3)nc3ncnn23)cc1
InChIInChI=1S/C21H25N5O/c1-2-5-17(6-3-1)19-13-20(24-21-22-15-23-26(19)21)25-10-4-7-18(14-25)16-8-11-27-12-9-16/h1-3,5-6,13,15-16,18H,4,7-12,14H2
InChIKeySIFDXRYBOOSZSU-UHFFFAOYSA-N
XLogP3.43
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR,7aS)-6-methyl-1-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-2,3,4,4a,7,7a-hexahydropyrrolo[3,4-b]pyridin-5-one
CID 166323517
(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine
CID 171084156
6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122054567
7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133288349
5-phenyl-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133292343
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
4-[5-(3,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile
CID 134328374
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3227365
5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75369292
N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880530
6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122057511
N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine
CID 127616496

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 166395952) is 5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc(-c2cc(N3CCCC(C4CCOCC4)C3)nc3ncnn23)cc1.
What is the InChIKey of 5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SIFDXRYBOOSZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-5-17(6-3-1)19-13-20(24-21-22-15-23-26(19)21)25-10-4-7-18(14-25)16-8-11-27-12-9-16/h1-3,5-6,13,15-16,18H,4,7-12,14H2.
What are the key properties of 5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 363.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxan-4-yl)piperidin-1-yl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166395952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).