(2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C19H21N5O2 — CID 118471219

IUPAC(2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCC(c2cc(C)nc3ncnn23)C1
InChIInChI=1S/C19H21N5O2/c1-13-10-16(24-19(22-13)20-12-21-24)14-6-5-9-23(11-14)18(25)15-7-3-4-8-17(15)26-2/h3-4,7-8,10,12,14H,5-6,9,11H2,1-2H3
InChIKeyBCVOUUFQCBXSBR-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.46
Rot. Bonds3

About (2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

(2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118471219) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118471219
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCC(c2cc(C)nc3ncnn23)C1
InChIInChI=1S/C19H21N5O2/c1-13-10-16(24-19(22-13)20-12-21-24)14-6-5-9-23(11-14)18(25)15-7-3-4-8-17(15)26-2/h3-4,7-8,10,12,14H,5-6,9,11H2,1-2H3
InChIKeyBCVOUUFQCBXSBR-UHFFFAOYSA-N
XLogP2.46
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118471219) is (2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCCC(c2cc(C)nc3ncnn23)C1.
What is the InChIKey of (2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is BCVOUUFQCBXSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-10-16(24-19(22-13)20-12-21-24)14-6-5-9-23(11-14)18(25)15-7-3-4-8-17(15)26-2/h3-4,7-8,10,12,14H,5-6,9,11H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118471219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).