(2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine

C17H21N5OS — CID 94815123

IUPAC(2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine
SMILESCCN1CCO[C@@H](CSc2nc3ccccc3c3nc(C)nn23)C1
InChIInChI=1S/C17H21N5OS/c1-3-21-8-9-23-13(10-21)11-24-17-19-15-7-5-4-6-14(15)16-18-12(2)20-22(16)17/h4-7,13H,3,8-11H2,1-2H3/t13-/m1/s1
InChIKeyVYTULGCVZXGHIY-CYBMUJFWSA-N
MW343.46 g/mol
LogP2.40
Rot. Bonds4

About (2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine

(2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine (PubChem CID 94815123) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name(2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine
PubChem CID94815123
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine
SMILESCCN1CCO[C@@H](CSc2nc3ccccc3c3nc(C)nn23)C1
InChIInChI=1S/C17H21N5OS/c1-3-21-8-9-23-13(10-21)11-24-17-19-15-7-5-4-6-14(15)16-18-12(2)20-22(16)17/h4-7,13H,3,8-11H2,1-2H3/t13-/m1/s1
InChIKeyVYTULGCVZXGHIY-CYBMUJFWSA-N
XLogP2.40
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine with MolForge

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Related Compounds

2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanol
CID 16584695
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 55482715
2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
CID 4833615
1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 35364253
5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole
CID 16612283
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 167961936
3-(2-ethoxyphenyl)-5-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24601265
5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 24601166
N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 87019247
5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 27791941
N-[(2,3-dimethylphenyl)carbamoyl]-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 24601199
N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46683994

Frequently Asked Questions

What is the IUPAC name of (2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine?
The IUPAC name of (2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine (CID 94815123) is (2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine.
What is the SMILES notation for (2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine?
The canonical SMILES for (2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine is CCN1CCO[C@@H](CSc2nc3ccccc3c3nc(C)nn23)C1.
What is the InChIKey of (2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine?
The InChIKey is VYTULGCVZXGHIY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-3-21-8-9-23-13(10-21)11-24-17-19-15-7-5-4-6-14(15)16-18-12(2)20-22(16)17/h4-7,13H,3,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine?
(2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine has a molecular weight of 343.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine is sourced from PubChem (CID 94815123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).