2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide

C12H21N5O — CID 62403216

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide
SMILESCC(NC(=O)Cn1cnc(N)n1)C1CCCCC1
InChIInChI=1S/C12H21N5O/c1-9(10-5-3-2-4-6-10)15-11(18)7-17-8-14-12(13)16-17/h8-10H,2-7H2,1H3,(H2,13,16)(H,15,18)
InChIKeyNHTSLUZPLMJUHY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.95
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide (PubChem CID 62403216) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide
PubChem CID62403216
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide
SMILESCC(NC(=O)Cn1cnc(N)n1)C1CCCCC1
InChIInChI=1S/C12H21N5O/c1-9(10-5-3-2-4-6-10)15-11(18)7-17-8-14-12(13)16-17/h8-10H,2-7H2,1H3,(H2,13,16)(H,15,18)
InChIKeyNHTSLUZPLMJUHY-UHFFFAOYSA-N
XLogP0.95
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide (CID 62403216) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide is CC(NC(=O)Cn1cnc(N)n1)C1CCCCC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide?
The InChIKey is NHTSLUZPLMJUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9(10-5-3-2-4-6-10)15-11(18)7-17-8-14-12(13)16-17/h8-10H,2-7H2,1H3,(H2,13,16)(H,15,18).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide is sourced from PubChem (CID 62403216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).