3-methoxy-2-(triazol-1-yl)propanamide

C6H10N4O2 — CID 91293121

IUPAC3-methoxy-2-(triazol-1-yl)propanamide
SMILESCOCC(C(N)=O)n1ccnn1
InChIInChI=1S/C6H10N4O2/c1-12-4-5(6(7)11)10-3-2-8-9-10/h2-3,5H,4H2,1H3,(H2,7,11)
InChIKeyQHLLUEKJLNJWQO-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.05
Rot. Bonds4

About 3-methoxy-2-(triazol-1-yl)propanamide

3-methoxy-2-(triazol-1-yl)propanamide (PubChem CID 91293121) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-methoxy-2-(triazol-1-yl)propanamide.

Molecular Properties

Compound Name3-methoxy-2-(triazol-1-yl)propanamide
PubChem CID91293121
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3-methoxy-2-(triazol-1-yl)propanamide
SMILESCOCC(C(N)=O)n1ccnn1
InChIInChI=1S/C6H10N4O2/c1-12-4-5(6(7)11)10-3-2-8-9-10/h2-3,5H,4H2,1H3,(H2,7,11)
InChIKeyQHLLUEKJLNJWQO-UHFFFAOYSA-N
XLogP-1.05
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(triazol-1-yl)heptanoic acid
CID 69479443
methyl (2S,3R)-2-amino-3-(triazol-1-yl)butanoate
CID 99737599
1-(2-methoxyethoxymethyl)triazole
CID 19365953
N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide
CID 115283363
2-imidazol-1-yl-3-methoxypropanoic acid
CID 105434384
3-(4-chlorophenyl)-3-methoxy-2-(triazol-1-yl)butanamide
CID 90748514
propyl triazole-1-carboxylate
CID 141183769
2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide
CID 81083065
2-amino-2-(triazol-1-yl)ethanol
CID 174538869
triazol-1-ylmethyl 2,2-dimethylpropanoate
CID 142289422
3-methoxy-2-methylpropanamide;hydrochloride
CID 88805694
2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide
CID 165459946

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(triazol-1-yl)propanamide?
The IUPAC name of 3-methoxy-2-(triazol-1-yl)propanamide (CID 91293121) is 3-methoxy-2-(triazol-1-yl)propanamide.
What is the SMILES notation for 3-methoxy-2-(triazol-1-yl)propanamide?
The canonical SMILES for 3-methoxy-2-(triazol-1-yl)propanamide is COCC(C(N)=O)n1ccnn1.
What is the InChIKey of 3-methoxy-2-(triazol-1-yl)propanamide?
The InChIKey is QHLLUEKJLNJWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-12-4-5(6(7)11)10-3-2-8-9-10/h2-3,5H,4H2,1H3,(H2,7,11).
What are the key properties of 3-methoxy-2-(triazol-1-yl)propanamide?
3-methoxy-2-(triazol-1-yl)propanamide has a molecular weight of 170.17 g/mol, XLogP of -1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(triazol-1-yl)propanamide is sourced from PubChem (CID 91293121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).