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

C19H28N6O2 — CID 56906941

IUPAC(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESCc1cc(C)n2c(C(=O)N3CCCC(N4CCC(CO)CC4)C3)nnc2n1
InChIInChI=1S/C19H28N6O2/c1-13-10-14(2)25-17(21-22-19(25)20-13)18(27)24-7-3-4-16(11-24)23-8-5-15(12-26)6-9-23/h10,15-16,26H,3-9,11-12H2,1-2H3
InChIKeySLBZGYQDRMYCFB-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.05
Rot. Bonds3

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

(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 56906941) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID56906941
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESCc1cc(C)n2c(C(=O)N3CCCC(N4CCC(CO)CC4)C3)nnc2n1
InChIInChI=1S/C19H28N6O2/c1-13-10-14(2)25-17(21-22-19(25)20-13)18(27)24-7-3-4-16(11-24)23-8-5-15(12-26)6-9-23/h10,15-16,26H,3-9,11-12H2,1-2H3
InChIKeySLBZGYQDRMYCFB-UHFFFAOYSA-N
XLogP1.05
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-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 (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone (CID 56906941) is (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone is Cc1cc(C)n2c(C(=O)N3CCCC(N4CCC(CO)CC4)C3)nnc2n1.
What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is SLBZGYQDRMYCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-13-10-14(2)25-17(21-22-19(25)20-13)18(27)24-7-3-4-16(11-24)23-8-5-15(12-26)6-9-23/h10,15-16,26H,3-9,11-12H2,1-2H3.
What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 56906941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).