2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide

C7H13N5O — CID 60910688

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cnc(N)n1
InChIInChI=1S/C7H13N5O/c1-3-9-6(13)5(2)12-4-10-7(8)11-12/h4-5H,3H2,1-2H3,(H2,8,11)(H,9,13)
InChIKeyGTAQQVCIUBQBFO-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.44
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide

2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide (PubChem CID 60910688) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide
PubChem CID60910688
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cnc(N)n1
InChIInChI=1S/C7H13N5O/c1-3-9-6(13)5(2)12-4-10-7(8)11-12/h4-5H,3H2,1-2H3,(H2,8,11)(H,9,13)
InChIKeyGTAQQVCIUBQBFO-UHFFFAOYSA-N
XLogP-0.44
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide (CID 60910688) is 2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)n1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide?
The InChIKey is GTAQQVCIUBQBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-3-9-6(13)5(2)12-4-10-7(8)11-12/h4-5H,3H2,1-2H3,(H2,8,11)(H,9,13).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide has a molecular weight of 183.21 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 60910688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).