ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate

C12H18N6O2 — CID 63330208

IUPACethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(CCc2nncn2C)c1N
InChIInChI=1S/C12H18N6O2/c1-4-20-12(19)10-11(13)18(8(2)15-10)6-5-9-16-14-7-17(9)3/h7H,4-6,13H2,1-3H3
InChIKeyNKFZRMNUEVXURF-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.32
Rot. Bonds5

About ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate

ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate (PubChem CID 63330208) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
PubChem CID63330208
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Nameethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(CCc2nncn2C)c1N
InChIInChI=1S/C12H18N6O2/c1-4-20-12(19)10-11(13)18(8(2)15-10)6-5-9-16-14-7-17(9)3/h7H,4-6,13H2,1-3H3
InChIKeyNKFZRMNUEVXURF-UHFFFAOYSA-N
XLogP0.32
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate
CID 83232476
ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
CID 63824459
methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
CID 103545822
ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332702
ethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoacetate
CID 63330652
ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate
CID 62993710
2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole-5-carboxylic acid
CID 63330197
ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate
CID 65232235
ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate
CID 114186660
ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate
CID 63824099
ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate
CID 107165086
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate (CID 63330208) is ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate is CCOC(=O)c1nc(C)n(CCc2nncn2C)c1N.
What is the InChIKey of ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate?
The InChIKey is NKFZRMNUEVXURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-4-20-12(19)10-11(13)18(8(2)15-10)6-5-9-16-14-7-17(9)3/h7H,4-6,13H2,1-3H3.
What are the key properties of ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate?
ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate has a molecular weight of 278.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 63330208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).