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

C6H11N5O — CID 18873857

IUPAC2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCN(C)CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H11N5O/c1-11(2)3-5(12)9-6-7-4-8-10-6/h4H,3H2,1-2H3,(H2,7,8,9,10,12)
InChIKeyRFSXGFGEGCKJHO-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.70
Rot. Bonds3

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

2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 18873857) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID18873857
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCN(C)CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H11N5O/c1-11(2)3-5(12)9-6-7-4-8-10-6/h4H,3H2,1-2H3,(H2,7,8,9,10,12)
InChIKeyRFSXGFGEGCKJHO-UHFFFAOYSA-N
XLogP-0.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 18873857) is 2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide is CN(C)CC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is RFSXGFGEGCKJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-11(2)3-5(12)9-6-7-4-8-10-6/h4H,3H2,1-2H3,(H2,7,8,9,10,12).
What are the key properties of 2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 169.19 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 18873857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).