1,5-dicyclopropyltriazole-4-carboxylic acid

C9H11N3O2 — CID 105446875

IUPAC1,5-dicyclopropyltriazole-4-carboxylic acid
SMILESO=C(O)c1nnn(C2CC2)c1C1CC1
InChIInChI=1S/C9H11N3O2/c13-9(14)7-8(5-1-2-5)12(11-10-7)6-3-4-6/h5-6H,1-4H2,(H,13,14)
InChIKeyLWIPNWSNDGWFEM-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.19
Rot. Bonds3

About 1,5-dicyclopropyltriazole-4-carboxylic acid

1,5-dicyclopropyltriazole-4-carboxylic acid (PubChem CID 105446875) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1,5-dicyclopropyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1,5-dicyclopropyltriazole-4-carboxylic acid
PubChem CID105446875
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1,5-dicyclopropyltriazole-4-carboxylic acid
SMILESO=C(O)c1nnn(C2CC2)c1C1CC1
InChIInChI=1S/C9H11N3O2/c13-9(14)7-8(5-1-2-5)12(11-10-7)6-3-4-6/h5-6H,1-4H2,(H,13,14)
InChIKeyLWIPNWSNDGWFEM-UHFFFAOYSA-N
XLogP1.19
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-(oxan-4-yl)triazole-4-carboxylic acid
CID 63937127
1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123557
5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid
CID 62054070
5-cyclopropyl-1-ethyltriazole-4-carboxylic acid
CID 62055602
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-[(3-cyclopropylimidazol-4-yl)methyl]triazole-4-carboxylic acid
CID 66148008
1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazole-4-carboxylic acid
CID 62055610
5-cyclopropyl-1-(4-methylpentyl)triazole-4-carboxylic acid
CID 83161633
5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid
CID 103121955
1-cyclopentyl-5-(difluoromethyl)triazole-4-carboxylic acid
CID 102644673
1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid
CID 62054360

Frequently Asked Questions

What is the IUPAC name of 1,5-dicyclopropyltriazole-4-carboxylic acid?
The IUPAC name of 1,5-dicyclopropyltriazole-4-carboxylic acid (CID 105446875) is 1,5-dicyclopropyltriazole-4-carboxylic acid.
What is the SMILES notation for 1,5-dicyclopropyltriazole-4-carboxylic acid?
The canonical SMILES for 1,5-dicyclopropyltriazole-4-carboxylic acid is O=C(O)c1nnn(C2CC2)c1C1CC1.
What is the InChIKey of 1,5-dicyclopropyltriazole-4-carboxylic acid?
The InChIKey is LWIPNWSNDGWFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(14)7-8(5-1-2-5)12(11-10-7)6-3-4-6/h5-6H,1-4H2,(H,13,14).
What are the key properties of 1,5-dicyclopropyltriazole-4-carboxylic acid?
1,5-dicyclopropyltriazole-4-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dicyclopropyltriazole-4-carboxylic acid is sourced from PubChem (CID 105446875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).