1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid

C9H13N3O3 — CID 62054199

IUPAC1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1C1CCCC1O
InChIInChI=1S/C9H13N3O3/c1-5-8(9(14)15)10-11-12(5)6-3-2-4-7(6)13/h6-7,13H,2-4H2,1H3,(H,14,15)
InChIKeyMIQKVLMXZLKHFN-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.37
Rot. Bonds2

About 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid

1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid (PubChem CID 62054199) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid
PubChem CID62054199
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1C1CCCC1O
InChIInChI=1S/C9H13N3O3/c1-5-8(9(14)15)10-11-12(5)6-3-2-4-7(6)13/h6-7,13H,2-4H2,1H3,(H,14,15)
InChIKeyMIQKVLMXZLKHFN-UHFFFAOYSA-N
XLogP0.37
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid (CID 62054199) is 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid is Cc1c(C(=O)O)nnn1C1CCCC1O.
What is the InChIKey of 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid?
The InChIKey is MIQKVLMXZLKHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-8(9(14)15)10-11-12(5)6-3-2-4-7(6)13/h6-7,13H,2-4H2,1H3,(H,14,15).
What are the key properties of 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid?
1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid is sourced from PubChem (CID 62054199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).