methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate

C11H20N4O2 — CID 102643839

IUPACmethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate
SMILESCOC(=O)c1nnn(CCN(C)C)c1C(C)C
InChIInChI=1S/C11H20N4O2/c1-8(2)10-9(11(16)17-5)12-13-15(10)7-6-14(3)4/h8H,6-7H2,1-5H3
InChIKeyUVOYESAQSNVQJJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.75
Rot. Bonds5

About methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate

methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate (PubChem CID 102643839) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate
PubChem CID102643839
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Namemethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate
SMILESCOC(=O)c1nnn(CCN(C)C)c1C(C)C
InChIInChI=1S/C11H20N4O2/c1-8(2)10-9(11(16)17-5)12-13-15(10)7-6-14(3)4/h8H,6-7H2,1-5H3
InChIKeyUVOYESAQSNVQJJ-UHFFFAOYSA-N
XLogP0.75
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate?
The IUPAC name of methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate (CID 102643839) is methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate?
The canonical SMILES for methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate is COC(=O)c1nnn(CCN(C)C)c1C(C)C.
What is the InChIKey of methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate?
The InChIKey is UVOYESAQSNVQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(2)10-9(11(16)17-5)12-13-15(10)7-6-14(3)4/h8H,6-7H2,1-5H3.
What are the key properties of methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate?
methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate has a molecular weight of 240.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate is sourced from PubChem (CID 102643839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).