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

C10H17N5O2 — CID 47839833

IUPACN-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
SMILESCCC(C)NC(=O)CNC(=O)Cn1cncn1
InChIInChI=1S/C10H17N5O2/c1-3-8(2)14-9(16)4-12-10(17)5-15-7-11-6-13-15/h6-8H,3-5H2,1-2H3,(H,12,17)(H,14,16)
InChIKeyXXWFBMNWASKCKB-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.69
Rot. Bonds6

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

N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide (PubChem CID 47839833) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
PubChem CID47839833
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
SMILESCCC(C)NC(=O)CNC(=O)Cn1cncn1
InChIInChI=1S/C10H17N5O2/c1-3-8(2)14-9(16)4-12-10(17)5-15-7-11-6-13-15/h6-8H,3-5H2,1-2H3,(H,12,17)(H,14,16)
InChIKeyXXWFBMNWASKCKB-UHFFFAOYSA-N
XLogP-0.69
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide (CID 47839833) is N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide is CCC(C)NC(=O)CNC(=O)Cn1cncn1.
What is the InChIKey of N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The InChIKey is XXWFBMNWASKCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-8(2)14-9(16)4-12-10(17)5-15-7-11-6-13-15/h6-8H,3-5H2,1-2H3,(H,12,17)(H,14,16).
What are the key properties of N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide?
N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide has a molecular weight of 239.28 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 47839833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).