4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine

C20H22N6O2 — CID 146043501

IUPAC4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine
SMILESc1ccc(-c2nc(-c3ccc(N4CCOCC4)nc3)n(C3CCOC3)n2)nc1
InChIInChI=1S/C20H22N6O2/c1-2-7-21-17(3-1)19-23-20(26(24-19)16-6-10-28-14-16)15-4-5-18(22-13-15)25-8-11-27-12-9-25/h1-5,7,13,16H,6,8-12,14H2
InChIKeyGJGVCNNAVHYLFO-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.20
Rot. Bonds4

About 4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine

4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 146043501) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine
PubChem CID146043501
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine
SMILESc1ccc(-c2nc(-c3ccc(N4CCOCC4)nc3)n(C3CCOC3)n2)nc1
InChIInChI=1S/C20H22N6O2/c1-2-7-21-17(3-1)19-23-20(26(24-19)16-6-10-28-14-16)15-4-5-18(22-13-15)25-8-11-27-12-9-25/h1-5,7,13,16H,6,8-12,14H2
InChIKeyGJGVCNNAVHYLFO-UHFFFAOYSA-N
XLogP2.20
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine 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

4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769891
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
4-(4-pyridin-2-yl-1,3,5-triazin-2-yl)morpholine
CID 141107060
2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine
CID 167978510
4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine
CID 146042376
3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine
CID 90435597
4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162753
4-[5-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 58508193
6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 117085161
9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine
CID 117089841
9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
CID 117089738

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine (CID 146043501) is 4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine is c1ccc(-c2nc(-c3ccc(N4CCOCC4)nc3)n(C3CCOC3)n2)nc1.
What is the InChIKey of 4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is GJGVCNNAVHYLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-2-7-21-17(3-1)19-23-20(26(24-19)16-6-10-28-14-16)15-4-5-18(22-13-15)25-8-11-27-12-9-25/h1-5,7,13,16H,6,8-12,14H2.
What are the key properties of 4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine?
4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 378.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(oxolan-3-yl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 146043501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).