ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate

C11H14N4O2 — CID 107044007

IUPACethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1Cc1cn(C)nn1
InChIInChI=1S/C11H14N4O2/c1-3-17-11(16)10-5-4-6-15(10)8-9-7-14(2)13-12-9/h4-7H,3,8H2,1-2H3
InChIKeyDPVLGOJXHZSKSF-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.84
Rot. Bonds4

About ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate

ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate (PubChem CID 107044007) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate
PubChem CID107044007
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Nameethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1Cc1cn(C)nn1
InChIInChI=1S/C11H14N4O2/c1-3-17-11(16)10-5-4-6-15(10)8-9-7-14(2)13-12-9/h4-7H,3,8H2,1-2H3
InChIKeyDPVLGOJXHZSKSF-UHFFFAOYSA-N
XLogP0.84
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105422066
ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 102604433
ethyl 1-[[4-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537103
ethyl 1-[[3-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537102
ethyl 1-[(2,6-dichlorophenyl)methyl]pyrrole-2-carboxylate
CID 105422030
ethyl 1-[(5-methylfuran-2-yl)methyl]pyrrole-2-carboxylate
CID 105421966
ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate
CID 105422133
5-(2-ethoxycarbonylpyrrol-1-yl)pentanoic acid
CID 83793284
ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate
CID 105422074
ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate
CID 105422054
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate
CID 107043996
ethyl 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrole-2-carboxylate
CID 105421889

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate (CID 107044007) is ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate is CCOC(=O)c1cccn1Cc1cn(C)nn1.
What is the InChIKey of ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate?
The InChIKey is DPVLGOJXHZSKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-17-11(16)10-5-4-6-15(10)8-9-7-14(2)13-12-9/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate?
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate has a molecular weight of 234.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate is sourced from PubChem (CID 107044007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).