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

C11H17N5OS — CID 54955456

IUPAC2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CSc1nnc(N)n1C)C1=CCCC1
InChIInChI=1S/C11H17N5OS/c1-15(8-5-3-4-6-8)9(17)7-18-11-14-13-10(12)16(11)2/h5H,3-4,6-7H2,1-2H3,(H2,12,13)
InChIKeyGKQOYHMPWHDVBZ-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.02
Rot. Bonds4

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

2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide (PubChem CID 54955456) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
PubChem CID54955456
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CSc1nnc(N)n1C)C1=CCCC1
InChIInChI=1S/C11H17N5OS/c1-15(8-5-3-4-6-8)9(17)7-18-11-14-13-10(12)16(11)2/h5H,3-4,6-7H2,1-2H3,(H2,12,13)
InChIKeyGKQOYHMPWHDVBZ-UHFFFAOYSA-N
XLogP1.02
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The IUPAC name of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide (CID 54955456) is 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide is CN(C(=O)CSc1nnc(N)n1C)C1=CCCC1.
What is the InChIKey of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The InChIKey is GKQOYHMPWHDVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-15(8-5-3-4-6-8)9(17)7-18-11-14-13-10(12)16(11)2/h5H,3-4,6-7H2,1-2H3,(H2,12,13).
What are the key properties of 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide has a molecular weight of 267.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide is sourced from PubChem (CID 54955456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).