1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

C19H26N4O2S — CID 1021608

IUPAC1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILESCCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C19H26N4O2S/c1-2-10-23-17(9-8-16-6-4-3-5-7-16)20-21-19(23)26-15-18(24)22-11-13-25-14-12-22/h3-7H,2,8-15H2,1H3
InChIKeyBKAHMCOSGRGGPW-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.42
Rot. Bonds8

About 1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone (PubChem CID 1021608) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
PubChem CID1021608
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILESCCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C19H26N4O2S/c1-2-10-23-17(9-8-16-6-4-3-5-7-16)20-21-19(23)26-15-18(24)22-11-13-25-14-12-22/h3-7H,2,8-15H2,1H3
InChIKeyBKAHMCOSGRGGPW-UHFFFAOYSA-N
XLogP2.42
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone (CID 1021608) is 1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone is CCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The InChIKey is BKAHMCOSGRGGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-2-10-23-17(9-8-16-6-4-3-5-7-16)20-21-19(23)26-15-18(24)22-11-13-25-14-12-22/h3-7H,2,8-15H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone?
1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone has a molecular weight of 374.51 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[[5-(2-phenylethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone is sourced from PubChem (CID 1021608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).