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

C12H21N5OS — CID 24818215

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide
SMILESCC(Sc1n[nH]c(N)n1)C(=O)NC1CCCCC1C
InChIInChI=1S/C12H21N5OS/c1-7-5-3-4-6-9(7)14-10(18)8(2)19-12-15-11(13)16-17-12/h7-9H,3-6H2,1-2H3,(H,14,18)(H3,13,15,16,17)
InChIKeyJPDHCTUFFMUKMK-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.56
Rot. Bonds4

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

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide (PubChem CID 24818215) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide
PubChem CID24818215
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide
SMILESCC(Sc1n[nH]c(N)n1)C(=O)NC1CCCCC1C
InChIInChI=1S/C12H21N5OS/c1-7-5-3-4-6-9(7)14-10(18)8(2)19-12-15-11(13)16-17-12/h7-9H,3-6H2,1-2H3,(H,14,18)(H3,13,15,16,17)
InChIKeyJPDHCTUFFMUKMK-UHFFFAOYSA-N
XLogP1.56
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
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-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide (CID 24818215) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide is CC(Sc1n[nH]c(N)n1)C(=O)NC1CCCCC1C.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide?
The InChIKey is JPDHCTUFFMUKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-7-5-3-4-6-9(7)14-10(18)8(2)19-12-15-11(13)16-17-12/h7-9H,3-6H2,1-2H3,(H,14,18)(H3,13,15,16,17).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide has a molecular weight of 283.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 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-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 24818215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).