methyl 5-methyl-2H-triazole-4-carboxylate

C5H7N3O2 — CID 10307866

IUPACmethyl 5-methyl-2H-triazole-4-carboxylate
SMILESCOC(=O)c1n[nH]nc1C
InChIInChI=1S/C5H7N3O2/c1-3-4(5(9)10-2)7-8-6-3/h1-2H3,(H,6,7,8)
InChIKeyUIAFUZFURUTFNX-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.10
Rot. Bonds1

About methyl 5-methyl-2H-triazole-4-carboxylate

methyl 5-methyl-2H-triazole-4-carboxylate (PubChem CID 10307866) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is methyl 5-methyl-2H-triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2H-triazole-4-carboxylate
PubChem CID10307866
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Namemethyl 5-methyl-2H-triazole-4-carboxylate
SMILESCOC(=O)c1n[nH]nc1C
InChIInChI=1S/C5H7N3O2/c1-3-4(5(9)10-2)7-8-6-3/h1-2H3,(H,6,7,8)
InChIKeyUIAFUZFURUTFNX-UHFFFAOYSA-N
XLogP-0.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl 1H-1,2,3-triazole-4,5-dicarboxylate
CID 593356
5-methyl-2H-1,2,3-triazole-4-carboxylic acid
CID 4436040
Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate
CID 78046
4-Methyl-[1,2,5]thiadiazole-3-carboxylic acid ethyl ester
CID 10583321
Methyl 4-methyl-1,2,5-thiadiazole-3-carboxylate
CID 10797022
5-(Methoxymethyl)-2H-triazole-4-carboxylic acid
CID 97619424
methyl 4-(hydroxymethyl)-1H-1,2,3-triazole-5-carboxylate
CID 131500388
Methyl 5-methyl-1-(2,2,2-trifluoroethoxy)triazole-4-carboxylate
CID 135080677
5-Carboxy-4-ethoxycarbonyl-1,2,3-triazole
CID 12998518
Di(n-butyl)-1h-1,2,3-triazole-4,5-dicarboxylate
CID 12998534
Ethyl 1-hydroxy-5-methyltriazole-4-carboxylate
CID 85913560
Ethyl 5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylate
CID 57574489

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2H-triazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2H-triazole-4-carboxylate (CID 10307866) is methyl 5-methyl-2H-triazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2H-triazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2H-triazole-4-carboxylate is COC(=O)c1n[nH]nc1C.
What is the InChIKey of methyl 5-methyl-2H-triazole-4-carboxylate?
The InChIKey is UIAFUZFURUTFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-4(5(9)10-2)7-8-6-3/h1-2H3,(H,6,7,8).
What are the key properties of methyl 5-methyl-2H-triazole-4-carboxylate?
methyl 5-methyl-2H-triazole-4-carboxylate has a molecular weight of 141.13 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2H-triazole-4-carboxylate is sourced from PubChem (CID 10307866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).