(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine

C17H20N6O — CID 129329476

IUPAC(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine
SMILESCCn1cnnc1[C@@H]1CN(c2ncnc3c(C)cccc23)CCO1
InChIInChI=1S/C17H20N6O/c1-3-22-11-20-21-17(22)14-9-23(7-8-24-14)16-13-6-4-5-12(2)15(13)18-10-19-16/h4-6,10-11,14H,3,7-9H2,1-2H3/t14-/m0/s1
InChIKeyFOJKVBLGNJSMHE-AWEZNQCLSA-N
MW324.39 g/mol
LogP2.13
Rot. Bonds3

About (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine

(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine (PubChem CID 129329476) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine
PubChem CID129329476
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine
SMILESCCn1cnnc1[C@@H]1CN(c2ncnc3c(C)cccc23)CCO1
InChIInChI=1S/C17H20N6O/c1-3-22-11-20-21-17(22)14-9-23(7-8-24-14)16-13-6-4-5-12(2)15(13)18-10-19-16/h4-6,10-11,14H,3,7-9H2,1-2H3/t14-/m0/s1
InChIKeyFOJKVBLGNJSMHE-AWEZNQCLSA-N
XLogP2.13
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)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

(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332145
2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
CID 126807770
2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 126800921
4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 128998417
(2-chloro-3-methylphenyl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333852
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine
CID 129334871
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 128990609
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole
CID 129001083
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine?
The IUPAC name of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine (CID 129329476) is (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine.
What is the SMILES notation for (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine?
The canonical SMILES for (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine is CCn1cnnc1[C@@H]1CN(c2ncnc3c(C)cccc23)CCO1.
What is the InChIKey of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine?
The InChIKey is FOJKVBLGNJSMHE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6O/c1-3-22-11-20-21-17(22)14-9-23(7-8-24-14)16-13-6-4-5-12(2)15(13)18-10-19-16/h4-6,10-11,14H,3,7-9H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine?
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine has a molecular weight of 324.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine is sourced from PubChem (CID 129329476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).