5-cyclopropyl-1-ethyltriazole-4-carboxylic acid

C8H11N3O2 — CID 62055602

IUPAC5-cyclopropyl-1-ethyltriazole-4-carboxylic acid
SMILESCCn1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C8H11N3O2/c1-2-11-7(5-3-4-5)6(8(12)13)9-10-11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyVUKKGWUNXGMINQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.87
Rot. Bonds3

About 5-cyclopropyl-1-ethyltriazole-4-carboxylic acid

5-cyclopropyl-1-ethyltriazole-4-carboxylic acid (PubChem CID 62055602) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-cyclopropyl-1-ethyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-ethyltriazole-4-carboxylic acid
PubChem CID62055602
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-cyclopropyl-1-ethyltriazole-4-carboxylic acid
SMILESCCn1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C8H11N3O2/c1-2-11-7(5-3-4-5)6(8(12)13)9-10-11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyVUKKGWUNXGMINQ-UHFFFAOYSA-N
XLogP0.87
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid
CID 62053741
5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid
CID 82210566
5-cyclopropyl-1-ethyltriazole-4-carbothioamide
CID 164663724
5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid
CID 62326659
5-cyclopropyl-1-(4-methylpentyl)triazole-4-carboxylic acid
CID 83161633
methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate
CID 165486545
5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazole-4-carboxylic acid
CID 62055273
5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid
CID 165475519
1,5-dicyclopropyltriazole-4-carboxylic acid
CID 105446875
1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazole-4-carboxylic acid
CID 62055610
5-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 62053900
1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123333

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-ethyltriazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-ethyltriazole-4-carboxylic acid (CID 62055602) is 5-cyclopropyl-1-ethyltriazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-ethyltriazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-ethyltriazole-4-carboxylic acid is CCn1nnc(C(=O)O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-ethyltriazole-4-carboxylic acid?
The InChIKey is VUKKGWUNXGMINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-11-7(5-3-4-5)6(8(12)13)9-10-11/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-cyclopropyl-1-ethyltriazole-4-carboxylic acid?
5-cyclopropyl-1-ethyltriazole-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-ethyltriazole-4-carboxylic acid is sourced from PubChem (CID 62055602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).