2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide

C10H17N5O2 — CID 54901665

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cn1cnc(N)n1)C1CCCO1
InChIInChI=1S/C10H17N5O2/c1-7(8-3-2-4-17-8)13-9(16)5-15-6-12-10(11)14-15/h6-8H,2-5H2,1H3,(H2,11,14)(H,13,16)
InChIKeySLOJWXZEACXKMQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.46
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide (PubChem CID 54901665) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
PubChem CID54901665
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cn1cnc(N)n1)C1CCCO1
InChIInChI=1S/C10H17N5O2/c1-7(8-3-2-4-17-8)13-9(16)5-15-6-12-10(11)14-15/h6-8H,2-5H2,1H3,(H2,11,14)(H,13,16)
InChIKeySLOJWXZEACXKMQ-UHFFFAOYSA-N
XLogP-0.46
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide (CID 54901665) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide is CC(NC(=O)Cn1cnc(N)n1)C1CCCO1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The InChIKey is SLOJWXZEACXKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7(8-3-2-4-17-8)13-9(16)5-15-6-12-10(11)14-15/h6-8H,2-5H2,1H3,(H2,11,14)(H,13,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide has a molecular weight of 239.28 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 54901665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).