4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine

C17H24N6O — CID 136572947

IUPAC4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
SMILESC=C(C)Cn1c(-c2cnccn2)nnc1N1CCOC(C(C)C)C1
InChIInChI=1S/C17H24N6O/c1-12(2)10-23-16(14-9-18-5-6-19-14)20-21-17(23)22-7-8-24-15(11-22)13(3)4/h5-6,9,13,15H,1,7-8,10-11H2,2-4H3
InChIKeyODRQXSSMEFZZKC-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.17
Rot. Bonds5

About 4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine

4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine (PubChem CID 136572947) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine.

Molecular Properties

Compound Name4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
PubChem CID136572947
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
SMILESC=C(C)Cn1c(-c2cnccn2)nnc1N1CCOC(C(C)C)C1
InChIInChI=1S/C17H24N6O/c1-12(2)10-23-16(14-9-18-5-6-19-14)20-21-17(23)22-7-8-24-15(11-22)13(3)4/h5-6,9,13,15H,1,7-8,10-11H2,2-4H3
InChIKeyODRQXSSMEFZZKC-UHFFFAOYSA-N
XLogP2.17
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine 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

2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-methylpyrazin-2-yl)methyl]morpholine
CID 72141674
2-{1-butyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-1,2,4-triazol-5-yl}-5-methylpyrazine
CID 72881549
2-[5-[4-(Methoxymethyl)-4-methylpiperidin-1-yl]-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]pyrazine
CID 136572943
2-[4-Ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine
CID 136572944
(2R)-4-(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine
CID 171359709
4-[2-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
CID 1435275
4-[2-(3-Methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine
CID 1435286
8-(4-Morpholinylmethyl)-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine
CID 12143099
8-(4-Morpholinylmethyl)-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidin-6-ol
CID 12143102
8-(hydroxymethyl)-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-6-ol
CID 12143096
1-(3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)propan-2-ol
CID 12143097
1-(6,6-Dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)propan-2-ol
CID 12143098

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine?
The IUPAC name of 4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine (CID 136572947) is 4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine.
What is the SMILES notation for 4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine?
The canonical SMILES for 4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine is C=C(C)Cn1c(-c2cnccn2)nnc1N1CCOC(C(C)C)C1.
What is the InChIKey of 4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine?
The InChIKey is ODRQXSSMEFZZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(2)10-23-16(14-9-18-5-6-19-14)20-21-17(23)22-7-8-24-15(11-22)13(3)4/h5-6,9,13,15H,1,7-8,10-11H2,2-4H3.
What are the key properties of 4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine?
4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine has a molecular weight of 328.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylprop-2-enyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine is sourced from PubChem (CID 136572947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).