(2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

C14H18N4OS — CID 96570693

IUPAC(2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCc1nnc2ccc(C(=O)N3CCSC(C)(C)C3)cn12
InChIInChI=1S/C14H18N4OS/c1-10-15-16-12-5-4-11(8-18(10)12)13(19)17-6-7-20-14(2,3)9-17/h4-5,8H,6-7,9H2,1-3H3
InChIKeyDNTGLDWJQWVIFD-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.01
Rot. Bonds1

About (2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

(2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (PubChem CID 96570693) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
PubChem CID96570693
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCc1nnc2ccc(C(=O)N3CCSC(C)(C)C3)cn12
InChIInChI=1S/C14H18N4OS/c1-10-15-16-12-5-4-11(8-18(10)12)13(19)17-6-7-20-14(2,3)9-17/h4-5,8H,6-7,9H2,1-3H3
InChIKeyDNTGLDWJQWVIFD-UHFFFAOYSA-N
XLogP2.01
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone with MolForge

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Related Compounds

(2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 71923473
1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 84614360
(2,2-dimethylthiomorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115683387
[4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119328217
(2,2-dimethylthiomorpholin-4-yl)-[4-(triazol-1-yl)phenyl]methanone
CID 166188216
(5-bromo-3-pyridinyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 115683389
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 56803163
(3-bromo-2-methylphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 115683414
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 107457765
(2-bromo-4-methylphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 113337887
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 86966453
(6-bromo-3-pyridinyl)-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107300795

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (CID 96570693) is (2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.
What is the SMILES notation for (2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The canonical SMILES for (2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is Cc1nnc2ccc(C(=O)N3CCSC(C)(C)C3)cn12.
What is the InChIKey of (2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The InChIKey is DNTGLDWJQWVIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-15-16-12-5-4-11(8-18(10)12)13(19)17-6-7-20-14(2,3)9-17/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of (2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
(2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is sourced from PubChem (CID 96570693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).