(2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone

C15H19N5OS — CID 71993613

IUPAC(2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
SMILESCC(C)C1CN(C(=O)c2ccnc(-n3cncn3)c2)CCS1
InChIInChI=1S/C15H19N5OS/c1-11(2)13-8-19(5-6-22-13)15(21)12-3-4-17-14(7-12)20-10-16-9-18-20/h3-4,7,9-11,13H,5-6,8H2,1-2H3
InChIKeyHYRFDBHKLGLZIN-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.88
Rot. Bonds3

About (2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone

(2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone (PubChem CID 71993613) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
PubChem CID71993613
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
SMILESCC(C)C1CN(C(=O)c2ccnc(-n3cncn3)c2)CCS1
InChIInChI=1S/C15H19N5OS/c1-11(2)13-8-19(5-6-22-13)15(21)12-3-4-17-14(7-12)20-10-16-9-18-20/h3-4,7,9-11,13H,5-6,8H2,1-2H3
InChIKeyHYRFDBHKLGLZIN-UHFFFAOYSA-N
XLogP1.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 97094220
[(3R)-3-ethoxypiperidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 95582872
N-tert-butyl-4-[2-(1,2,4-triazol-1-yl)pyridine-4-carbonyl]piperazine-1-carboxamide
CID 166221581
(2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone
CID 71993602
[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51091736
(2-pyridin-4-ylpyrrolidin-1-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51091752
2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51093174
[(2R)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 99816943
[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 94571761
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 71987124
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94571784
N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94571785

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The IUPAC name of (2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone (CID 71993613) is (2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for (2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for (2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone is CC(C)C1CN(C(=O)c2ccnc(-n3cncn3)c2)CCS1.
What is the InChIKey of (2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The InChIKey is HYRFDBHKLGLZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11(2)13-8-19(5-6-22-13)15(21)12-3-4-17-14(7-12)20-10-16-9-18-20/h3-4,7,9-11,13H,5-6,8H2,1-2H3.
What are the key properties of (2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
(2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone has a molecular weight of 317.42 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 71993613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).