2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

C9H12N6O2 — CID 106368601

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)Cn2cnc(N)n2)o1
InChIInChI=1S/C9H12N6O2/c1-6-2-12-8(17-6)3-11-7(16)4-15-5-13-9(10)14-15/h2,5H,3-4H2,1H3,(H2,10,14)(H,11,16)
InChIKeyATQBQBXQGYFTMF-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.53
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 106368601) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID106368601
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)Cn2cnc(N)n2)o1
InChIInChI=1S/C9H12N6O2/c1-6-2-12-8(17-6)3-11-7(16)4-15-5-13-9(10)14-15/h2,5H,3-4H2,1H3,(H2,10,14)(H,11,16)
InChIKeyATQBQBXQGYFTMF-UHFFFAOYSA-N
XLogP-0.53
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (CID 106368601) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)Cn2cnc(N)n2)o1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is ATQBQBXQGYFTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-6-2-12-8(17-6)3-11-7(16)4-15-5-13-9(10)14-15/h2,5H,3-4H2,1H3,(H2,10,14)(H,11,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 236.23 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 106368601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).