methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate

C10H17N3O4 — CID 103882297

IUPACmethyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate
SMILESCOC(=O)c1cn(CC(O)COC(C)C)nn1
InChIInChI=1S/C10H17N3O4/c1-7(2)17-6-8(14)4-13-5-9(11-12-13)10(15)16-3/h5,7-8,14H,4,6H2,1-3H3
InChIKeySPICIXWOLMJBAT-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.15
Rot. Bonds6

About methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate

methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate (PubChem CID 103882297) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate
PubChem CID103882297
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Namemethyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate
SMILESCOC(=O)c1cn(CC(O)COC(C)C)nn1
InChIInChI=1S/C10H17N3O4/c1-7(2)17-6-8(14)4-13-5-9(11-12-13)10(15)16-3/h5,7-8,14H,4,6H2,1-3H3
InChIKeySPICIXWOLMJBAT-UHFFFAOYSA-N
XLogP-0.15
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate?
The IUPAC name of methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate (CID 103882297) is methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate is COC(=O)c1cn(CC(O)COC(C)C)nn1.
What is the InChIKey of methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate?
The InChIKey is SPICIXWOLMJBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-7(2)17-6-8(14)4-13-5-9(11-12-13)10(15)16-3/h5,7-8,14H,4,6H2,1-3H3.
What are the key properties of methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate?
methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate has a molecular weight of 243.26 g/mol, XLogP of -0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate is sourced from PubChem (CID 103882297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).