4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid

C9H9N5O2 — CID 136991836

IUPAC4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1nncn1C1CC1
InChIInChI=1S/C9H9N5O2/c15-9(16)7-6(10-3-11-7)8-13-12-4-14(8)5-1-2-5/h3-5H,1-2H2,(H,10,11)(H,15,16)
InChIKeyRREKTGLRKNUBBZ-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.70
Rot. Bonds3

About 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid

4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 136991836) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid
PubChem CID136991836
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1nncn1C1CC1
InChIInChI=1S/C9H9N5O2/c15-9(16)7-6(10-3-11-7)8-13-12-4-14(8)5-1-2-5/h3-5H,1-2H2,(H,10,11)(H,15,16)
InChIKeyRREKTGLRKNUBBZ-UHFFFAOYSA-N
XLogP0.70
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid (CID 136991836) is 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]cnc1-c1nncn1C1CC1.
What is the InChIKey of 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is RREKTGLRKNUBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c15-9(16)7-6(10-3-11-7)8-13-12-4-14(8)5-1-2-5/h3-5H,1-2H2,(H,10,11)(H,15,16).
What are the key properties of 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid?
4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 136991836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).