2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide

C11H21N5O — CID 54901994

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H21N5O/c1-8(2)4-5-9(3)14-10(17)6-16-7-13-11(12)15-16/h7-9H,4-6H2,1-3H3,(H2,12,15)(H,14,17)
InChIKeyJKBBMWJACQJMJD-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.80
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide (PubChem CID 54901994) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide
PubChem CID54901994
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H21N5O/c1-8(2)4-5-9(3)14-10(17)6-16-7-13-11(12)15-16/h7-9H,4-6H2,1-3H3,(H2,12,15)(H,14,17)
InChIKeyJKBBMWJACQJMJD-UHFFFAOYSA-N
XLogP0.80
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.80
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-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide (CID 54901994) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide is CC(C)CCC(C)NC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is JKBBMWJACQJMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8(2)4-5-9(3)14-10(17)6-16-7-13-11(12)15-16/h7-9H,4-6H2,1-3H3,(H2,12,15)(H,14,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.80, 6 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-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 54901994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).