3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten

C9H17N3O2W — CID 159633362

IUPAC3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten
SMILESCC.Cc1c(CCC(=O)O)nnn1C.[W]
InChIInChI=1S/C7H11N3O2.C2H6.W/c1-5-6(3-4-7(11)12)8-9-10(5)2;1-2;/h3-4H2,1-2H3,(H,11,12);1-2H3;
InChIKeyMPKOXJGNGQZFLV-UHFFFAOYSA-N
MW383.09 g/mol
LogP1.16
Rot. Bonds3

About 3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten

3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten (PubChem CID 159633362) has the molecular formula C9H17N3O2W and a molecular weight of 383.09 g/mol. Its IUPAC name is 3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten.

Molecular Properties

Compound Name3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten
PubChem CID159633362
Molecular FormulaC9H17N3O2W
Molecular Weight383.09 g/mol
Exact Mass383.08
IUPAC Name3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten
SMILESCC.Cc1c(CCC(=O)O)nnn1C.[W]
InChIInChI=1S/C7H11N3O2.C2H6.W/c1-5-6(3-4-7(11)12)8-9-10(5)2;1-2;/h3-4H2,1-2H3,(H,11,12);1-2H3;
InChIKeyMPKOXJGNGQZFLV-UHFFFAOYSA-N
XLogP1.16
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.09
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten?
The IUPAC name of 3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten (CID 159633362) is 3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten.
What is the SMILES notation for 3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten?
The canonical SMILES for 3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten is CC.Cc1c(CCC(=O)O)nnn1C.[W].
What is the InChIKey of 3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten?
The InChIKey is MPKOXJGNGQZFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.C2H6.W/c1-5-6(3-4-7(11)12)8-9-10(5)2;1-2;/h3-4H2,1-2H3,(H,11,12);1-2H3;.
What are the key properties of 3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten?
3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten has a molecular weight of 383.09 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyltriazol-4-yl)propanoic acid;ethane;tungsten is sourced from PubChem (CID 159633362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).