2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide

C8H15N5O — CID 18873858

IUPAC2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCN(CC)CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H15N5O/c1-3-13(4-2)5-7(14)11-8-9-6-10-12-8/h6H,3-5H2,1-2H3,(H2,9,10,11,12,14)
InChIKeyGULXQVPOYSJRPL-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.09
Rot. Bonds5

About 2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 18873858) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID18873858
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCN(CC)CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H15N5O/c1-3-13(4-2)5-7(14)11-8-9-6-10-12-8/h6H,3-5H2,1-2H3,(H2,9,10,11,12,14)
InChIKeyGULXQVPOYSJRPL-UHFFFAOYSA-N
XLogP0.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 18873858) is 2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide is CCN(CC)CC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is GULXQVPOYSJRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-3-13(4-2)5-7(14)11-8-9-6-10-12-8/h6H,3-5H2,1-2H3,(H2,9,10,11,12,14).
What are the key properties of 2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 197.24 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 18873858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).