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

C11H16N6O2 — CID 103545822

IUPACmethyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(CCc2ncn(C)n2)c1N
InChIInChI=1S/C11H16N6O2/c1-7-14-9(11(18)19-3)10(12)17(7)5-4-8-13-6-16(2)15-8/h6H,4-5,12H2,1-3H3
InChIKeyPJTAHUFMSOBPRT-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.07
Rot. Bonds4

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

methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate (PubChem CID 103545822) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
PubChem CID103545822
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Namemethyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(CCc2ncn(C)n2)c1N
InChIInChI=1S/C11H16N6O2/c1-7-14-9(11(18)19-3)10(12)17(7)5-4-8-13-6-16(2)15-8/h6H,4-5,12H2,1-3H3
InChIKeyPJTAHUFMSOBPRT-UHFFFAOYSA-N
XLogP-0.07
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
CID 103545530
methyl 5-amino-1-[2-(5-bromothiophen-2-yl)ethyl]-2-methylimidazole-4-carboxylate
CID 106039173
ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
CID 63330208
methyl 5-amino-2-methyl-1-[(E)-pent-3-enyl]imidazole-4-carboxylate
CID 103546104
methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544391
methyl 5-amino-1-[3-(ethylamino)-3-oxopropyl]-2-methylimidazole-4-carboxylate
CID 103546031
methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate
CID 114162703
methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate
CID 103545463
methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate
CID 106338365
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
CID 63824459
methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate
CID 114407186

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate (CID 103545822) is methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate is COC(=O)c1nc(C)n(CCc2ncn(C)n2)c1N.
What is the InChIKey of methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate?
The InChIKey is PJTAHUFMSOBPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-7-14-9(11(18)19-3)10(12)17(7)5-4-8-13-6-16(2)15-8/h6H,4-5,12H2,1-3H3.
What are the key properties of methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate?
methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate has a molecular weight of 264.29 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 103545822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).