2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide

C10H15N5OS — CID 43243226

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CSc1n[nH]c(N)n1)C1=CCCC1
InChIInChI=1S/C10H15N5OS/c1-15(7-4-2-3-5-7)8(16)6-17-10-12-9(11)13-14-10/h4H,2-3,5-6H2,1H3,(H3,11,12,13,14)
InChIKeyATEHVXBEGSQLOE-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.01
Rot. Bonds4

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide (PubChem CID 43243226) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
PubChem CID43243226
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CSc1n[nH]c(N)n1)C1=CCCC1
InChIInChI=1S/C10H15N5OS/c1-15(7-4-2-3-5-7)8(16)6-17-10-12-9(11)13-14-10/h4H,2-3,5-6H2,1H3,(H3,11,12,13,14)
InChIKeyATEHVXBEGSQLOE-UHFFFAOYSA-N
XLogP1.01
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide (CID 43243226) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide is CN(C(=O)CSc1n[nH]c(N)n1)C1=CCCC1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The InChIKey is ATEHVXBEGSQLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-15(7-4-2-3-5-7)8(16)6-17-10-12-9(11)13-14-10/h4H,2-3,5-6H2,1H3,(H3,11,12,13,14).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide has a molecular weight of 253.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide is sourced from PubChem (CID 43243226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).