potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate

C5H6KN3O2 — CID 18739525

IUPACpotassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate
SMILESCc1nc(CC(=O)[O-])n[nH]1.[K+]
InChIInChI=1S/C5H7N3O2.K/c1-3-6-4(8-7-3)2-5(9)10;/h2H2,1H3,(H,9,10)(H,6,7,8);/q;+1/p-1
InChIKeyHSVBFAUAFBMCCB-UHFFFAOYSA-M
MW179.22 g/mol
LogP-4.59
Rot. Bonds2

About potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate

potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate (PubChem CID 18739525) has the molecular formula C5H6KN3O2 and a molecular weight of 179.22 g/mol. Its IUPAC name is potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate.

Molecular Properties

Compound Namepotassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate
PubChem CID18739525
Molecular FormulaC5H6KN3O2
Molecular Weight179.22 g/mol
Exact Mass179.01
IUPAC Namepotassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate
SMILESCc1nc(CC(=O)[O-])n[nH]1.[K+]
InChIInChI=1S/C5H7N3O2.K/c1-3-6-4(8-7-3)2-5(9)10;/h2H2,1H3,(H,9,10)(H,6,7,8);/q;+1/p-1
InChIKeyHSVBFAUAFBMCCB-UHFFFAOYSA-M
XLogP-4.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-4.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-oxopentanoic acid
CID 58703585
(5-methyl-1H-1,2,4-triazol-3-yl)methyl acetate
CID 127018420
3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoic acid;hydrate
CID 75531250
4-(5-methyl-1H-1,2,4-triazol-3-yl)butanoic acid
CID 61346351
ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
CID 144769727
5-methyl-3-(methylsulfinylmethyl)-1H-1,2,4-triazole
CID 142566121
2-[carboxymethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid
CID 64517900
1-(4-ethyl-4-hydroxypiperidin-1-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone
CID 138034638
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
CID 166318319
2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64517864
3-(2-chloroethyl)-5-methyl-1H-1,2,4-triazole;hydrochloride
CID 146155711

Frequently Asked Questions

What is the IUPAC name of potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate?
The IUPAC name of potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate (CID 18739525) is potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate.
What is the SMILES notation for potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate?
The canonical SMILES for potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate is Cc1nc(CC(=O)[O-])n[nH]1.[K+].
What is the InChIKey of potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate?
The InChIKey is HSVBFAUAFBMCCB-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7N3O2.K/c1-3-6-4(8-7-3)2-5(9)10;/h2H2,1H3,(H,9,10)(H,6,7,8);/q;+1/p-1.
What are the key properties of potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate?
potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate has a molecular weight of 179.22 g/mol, XLogP of -4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate is sourced from PubChem (CID 18739525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).