2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid

C16H23N3O2 — CID 166903388

IUPAC2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid
SMILESO=C(O)C(c1n[nH]c(C2CCCC2)n1)C(C1CC1)C1CC1
InChIInChI=1S/C16H23N3O2/c20-16(21)13(12(9-5-6-9)10-7-8-10)15-17-14(18-19-15)11-3-1-2-4-11/h9-13H,1-8H2,(H,20,21)(H,17,18,19)
InChIKeyYIIVWROTTPWHQL-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.07
Rot. Bonds6

About 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid

2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid (PubChem CID 166903388) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid.

Molecular Properties

Compound Name2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid
PubChem CID166903388
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid
SMILESO=C(O)C(c1n[nH]c(C2CCCC2)n1)C(C1CC1)C1CC1
InChIInChI=1S/C16H23N3O2/c20-16(21)13(12(9-5-6-9)10-7-8-10)15-17-14(18-19-15)11-3-1-2-4-11/h9-13H,1-8H2,(H,20,21)(H,17,18,19)
InChIKeyYIIVWROTTPWHQL-UHFFFAOYSA-N
XLogP3.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-bromo-1H-1,2,4-triazol-5-yl)-3,3-dicyclopropylpropanoate
CID 166903335
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanal
CID 166903449
ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate
CID 166903452
4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid
CID 61345340
1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 61345539
1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 61345741
5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid
CID 61345746
5-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)pentanoic acid
CID 61345946
2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid
CID 61345949
1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 61346145
2-[1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid
CID 61346149
2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)acetic acid
CID 61346152

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid?
The IUPAC name of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid (CID 166903388) is 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid.
What is the SMILES notation for 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid?
The canonical SMILES for 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid is O=C(O)C(c1n[nH]c(C2CCCC2)n1)C(C1CC1)C1CC1.
What is the InChIKey of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid?
The InChIKey is YIIVWROTTPWHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(21)13(12(9-5-6-9)10-7-8-10)15-17-14(18-19-15)11-3-1-2-4-11/h9-13H,1-8H2,(H,20,21)(H,17,18,19).
What are the key properties of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid?
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid has a molecular weight of 289.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid is sourced from PubChem (CID 166903388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).