2-(4-aminotriazol-2-yl)-N-ethylpropanamide

C7H13N5O — CID 165480792

IUPAC2-(4-aminotriazol-2-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1ncc(N)n1
InChIInChI=1S/C7H13N5O/c1-3-9-7(13)5(2)12-10-4-6(8)11-12/h4-5H,3H2,1-2H3,(H2,8,11)(H,9,13)
InChIKeyLZFPRDHCRQSAIY-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.44
Rot. Bonds3

About 2-(4-aminotriazol-2-yl)-N-ethylpropanamide

2-(4-aminotriazol-2-yl)-N-ethylpropanamide (PubChem CID 165480792) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(4-aminotriazol-2-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-aminotriazol-2-yl)-N-ethylpropanamide
PubChem CID165480792
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name2-(4-aminotriazol-2-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1ncc(N)n1
InChIInChI=1S/C7H13N5O/c1-3-9-7(13)5(2)12-10-4-6(8)11-12/h4-5H,3H2,1-2H3,(H2,8,11)(H,9,13)
InChIKeyLZFPRDHCRQSAIY-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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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide
CID 60910688
2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide
CID 165472875
N-ethyl-2-pyrrol-1-ylpropanamide
CID 61478012
4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344274
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide
CID 63338077
N-ethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19534268
2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489814
2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide
CID 82702599
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-ethylpropanamide
CID 102548566
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide
CID 60665444
2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide
CID 79306274

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-2-yl)-N-ethylpropanamide?
The IUPAC name of 2-(4-aminotriazol-2-yl)-N-ethylpropanamide (CID 165480792) is 2-(4-aminotriazol-2-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(4-aminotriazol-2-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(4-aminotriazol-2-yl)-N-ethylpropanamide is CCNC(=O)C(C)n1ncc(N)n1.
What is the InChIKey of 2-(4-aminotriazol-2-yl)-N-ethylpropanamide?
The InChIKey is LZFPRDHCRQSAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-3-9-7(13)5(2)12-10-4-6(8)11-12/h4-5H,3H2,1-2H3,(H2,8,11)(H,9,13).
What are the key properties of 2-(4-aminotriazol-2-yl)-N-ethylpropanamide?
2-(4-aminotriazol-2-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-(4-aminotriazol-2-yl)-N-ethylpropanamide is sourced from PubChem (CID 165480792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).