2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide

C11H17N5O3S — CID 58143372

IUPAC2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide
SMILESNC(=O)C(NC(=O)CSc1ncn[nH]1)C1CCOCC1
InChIInChI=1S/C11H17N5O3S/c12-10(18)9(7-1-3-19-4-2-7)15-8(17)5-20-11-13-6-14-16-11/h6-7,9H,1-5H2,(H2,12,18)(H,15,17)(H,13,14,16)
InChIKeyRIEQTOPBFBYXHZ-UHFFFAOYSA-N
MW299.36 g/mol
LogP-0.71
Rot. Bonds6

About 2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide

2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide (PubChem CID 58143372) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide
PubChem CID58143372
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide
SMILESNC(=O)C(NC(=O)CSc1ncn[nH]1)C1CCOCC1
InChIInChI=1S/C11H17N5O3S/c12-10(18)9(7-1-3-19-4-2-7)15-8(17)5-20-11-13-6-14-16-11/h6-7,9H,1-5H2,(H2,12,18)(H,15,17)(H,13,14,16)
InChIKeyRIEQTOPBFBYXHZ-UHFFFAOYSA-N
XLogP-0.71
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide?
The IUPAC name of 2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide (CID 58143372) is 2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide.
What is the SMILES notation for 2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide?
The canonical SMILES for 2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide is NC(=O)C(NC(=O)CSc1ncn[nH]1)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide?
The InChIKey is RIEQTOPBFBYXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c12-10(18)9(7-1-3-19-4-2-7)15-8(17)5-20-11-13-6-14-16-11/h6-7,9H,1-5H2,(H2,12,18)(H,15,17)(H,13,14,16).
What are the key properties of 2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide?
2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide has a molecular weight of 299.36 g/mol, XLogP of -0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide is sourced from PubChem (CID 58143372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).