methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate

C10H17N3O2 — CID 107427744

IUPACmethyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate
SMILESCCc1nc(CC)n([C@H](C)C(=O)OC)n1
InChIInChI=1S/C10H17N3O2/c1-5-8-11-9(6-2)13(12-8)7(3)10(14)15-4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyNVNXCRUSYSRYDI-SSDOTTSWSA-N
MW211.26 g/mol
LogP1.14
Rot. Bonds4

About methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate

methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate (PubChem CID 107427744) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate
PubChem CID107427744
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate
SMILESCCc1nc(CC)n([C@H](C)C(=O)OC)n1
InChIInChI=1S/C10H17N3O2/c1-5-8-11-9(6-2)13(12-8)7(3)10(14)15-4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyNVNXCRUSYSRYDI-SSDOTTSWSA-N
XLogP1.14
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate?
The IUPAC name of methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate (CID 107427744) is methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate?
The canonical SMILES for methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate is CCc1nc(CC)n([C@H](C)C(=O)OC)n1.
What is the InChIKey of methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate?
The InChIKey is NVNXCRUSYSRYDI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-8-11-9(6-2)13(12-8)7(3)10(14)15-4/h7H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate?
methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate has a molecular weight of 211.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate is sourced from PubChem (CID 107427744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).