N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide

C10H17N5O2 — CID 47826201

IUPACN-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
SMILESCCCCNC(=O)CNC(=O)Cn1cncn1
InChIInChI=1S/C10H17N5O2/c1-2-3-4-12-9(16)5-13-10(17)6-15-8-11-7-14-15/h7-8H,2-6H2,1H3,(H,12,16)(H,13,17)
InChIKeyLTDCJRAQIRJBME-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.69
Rot. Bonds7

About N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide

N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide (PubChem CID 47826201) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
PubChem CID47826201
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
SMILESCCCCNC(=O)CNC(=O)Cn1cncn1
InChIInChI=1S/C10H17N5O2/c1-2-3-4-12-9(16)5-13-10(17)6-15-8-11-7-14-15/h7-8H,2-6H2,1H3,(H,12,16)(H,13,17)
InChIKeyLTDCJRAQIRJBME-UHFFFAOYSA-N
XLogP-0.69
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide (CID 47826201) is N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide is CCCCNC(=O)CNC(=O)Cn1cncn1.
What is the InChIKey of N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The InChIKey is LTDCJRAQIRJBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-3-4-12-9(16)5-13-10(17)6-15-8-11-7-14-15/h7-8H,2-6H2,1H3,(H,12,16)(H,13,17).
What are the key properties of N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide has a molecular weight of 239.28 g/mol, XLogP of -0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 47826201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).