dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate

C7H9K2N3O5 — CID 70106482

IUPACdipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate
SMILESCCn1nncc1C(=O)OC.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C6H9N3O2.CH2O3.2K/c1-3-9-5(4-7-8-9)6(10)11-2;2-1(3)4;;/h4H,3H2,1-2H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyCHVNHZNHPATJIS-UHFFFAOYSA-L
MW293.36 g/mol
LogP-8.35
Rot. Bonds2

About dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate

dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate (PubChem CID 70106482) has the molecular formula C7H9K2N3O5 and a molecular weight of 293.36 g/mol. Its IUPAC name is dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate.

Molecular Properties

Compound Namedipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate
PubChem CID70106482
Molecular FormulaC7H9K2N3O5
Molecular Weight293.36 g/mol
Exact Mass292.98
IUPAC Namedipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate
SMILESCCn1nncc1C(=O)OC.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C6H9N3O2.CH2O3.2K/c1-3-9-5(4-7-8-9)6(10)11-2;2-1(3)4;;/h4H,3H2,1-2H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyCHVNHZNHPATJIS-UHFFFAOYSA-L
XLogP-8.35
TPSA120.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 5-8.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-(3-hydroxypropyl)triazole-4-carboxylate
CID 115016837
methyl 3-benzyltriazole-4-carboxylate
CID 12651410
N-(cyanomethyl)-3-ethyltriazole-4-carboxamide
CID 130991623
1-(3-ethyltriazol-4-yl)-2,2-dimethylpropan-1-one
CID 126974247
methyl 3-ethenyltriazole-4-carboxylate
CID 45090154
(E)-1-(3-ethyltriazol-4-yl)but-2-en-1-one
CID 130484243
4-(3-ethyltriazol-4-yl)-4-oxobutanoic acid
CID 84733430
1-(3-ethyltriazol-4-yl)-2-(4-methoxyphenyl)ethanone
CID 114213055
methyl 3-(1-nitroethyl)triazole-4-carboxylate
CID 23268954
(3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone
CID 114213089
methyl 1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 121210591
methyl 3-cyclopropyl-1-ethylpyrazole-5-carboxylate
CID 25247505

Frequently Asked Questions

What is the IUPAC name of dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate?
The IUPAC name of dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate (CID 70106482) is dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate.
What is the SMILES notation for dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate?
The canonical SMILES for dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate is CCn1nncc1C(=O)OC.O=C([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate?
The InChIKey is CHVNHZNHPATJIS-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H9N3O2.CH2O3.2K/c1-3-9-5(4-7-8-9)6(10)11-2;2-1(3)4;;/h4H,3H2,1-2H3;(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate?
dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate has a molecular weight of 293.36 g/mol, XLogP of -8.35, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate is sourced from PubChem (CID 70106482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).