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

C12H21N5OS — CID 3509285

IUPAC2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
SMILESCc1nnc(SCC(=O)NC2CCCCC2C)n1N
InChIInChI=1S/C12H21N5OS/c1-8-5-3-4-6-10(8)14-11(18)7-19-12-16-15-9(2)17(12)13/h8,10H,3-7,13H2,1-2H3,(H,14,18)
InChIKeySAHZDMDVOUNAOM-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.09
Rot. Bonds4

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

2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 3509285) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
PubChem CID3509285
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
SMILESCc1nnc(SCC(=O)NC2CCCCC2C)n1N
InChIInChI=1S/C12H21N5OS/c1-8-5-3-4-6-10(8)14-11(18)7-19-12-16-15-9(2)17(12)13/h8,10H,3-7,13H2,1-2H3,(H,14,18)
InChIKeySAHZDMDVOUNAOM-UHFFFAOYSA-N
XLogP1.09
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide (CID 3509285) is 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide is Cc1nnc(SCC(=O)NC2CCCCC2C)n1N.
What is the InChIKey of 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is SAHZDMDVOUNAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-8-5-3-4-6-10(8)14-11(18)7-19-12-16-15-9(2)17(12)13/h8,10H,3-7,13H2,1-2H3,(H,14,18).
What are the key properties of 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide?
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 283.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 3509285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).