1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid

C10H11N5O3 — CID 55030006

IUPAC1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1Cc1nc(C2CC2)no1
InChIInChI=1S/C10H11N5O3/c1-5-8(10(16)17)12-14-15(5)4-7-11-9(13-18-7)6-2-3-6/h6H,2-4H2,1H3,(H,16,17)
InChIKeyFARNBDPGCUPFKO-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.59
Rot. Bonds4

About 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid (PubChem CID 55030006) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid
PubChem CID55030006
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1Cc1nc(C2CC2)no1
InChIInChI=1S/C10H11N5O3/c1-5-8(10(16)17)12-14-15(5)4-7-11-9(13-18-7)6-2-3-6/h6H,2-4H2,1H3,(H,16,17)
InChIKeyFARNBDPGCUPFKO-UHFFFAOYSA-N
XLogP0.59
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid (CID 55030006) is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid is Cc1c(C(=O)O)nnn1Cc1nc(C2CC2)no1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid?
The InChIKey is FARNBDPGCUPFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-5-8(10(16)17)12-14-15(5)4-7-11-9(13-18-7)6-2-3-6/h6H,2-4H2,1H3,(H,16,17).
What are the key properties of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid?
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid is sourced from PubChem (CID 55030006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).