5-cyclopropyl-3-phenyl-1H-1,2,4-triazole

C11H11N3 — CID 61338880

IUPAC5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
SMILESc1ccc(-c2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C11H11N3/c1-2-4-8(5-3-1)10-12-11(14-13-10)9-6-7-9/h1-5,9H,6-7H2,(H,12,13,14)
InChIKeyDVHVKABQAHUDJA-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.35
Rot. Bonds2

About 5-cyclopropyl-3-phenyl-1H-1,2,4-triazole

5-cyclopropyl-3-phenyl-1H-1,2,4-triazole (PubChem CID 61338880) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-cyclopropyl-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
PubChem CID61338880
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
SMILESc1ccc(-c2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C11H11N3/c1-2-4-8(5-3-1)10-12-11(14-13-10)9-6-7-9/h1-5,9H,6-7H2,(H,12,13,14)
InChIKeyDVHVKABQAHUDJA-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-phenyl-1H-1,2,4-triazole (CID 61338880) is 5-cyclopropyl-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-phenyl-1H-1,2,4-triazole is c1ccc(-c2n[nH]c(C3CC3)n2)cc1.
What is the InChIKey of 5-cyclopropyl-3-phenyl-1H-1,2,4-triazole?
The InChIKey is DVHVKABQAHUDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-4-8(5-3-1)10-12-11(14-13-10)9-6-7-9/h1-5,9H,6-7H2,(H,12,13,14).
What are the key properties of 5-cyclopropyl-3-phenyl-1H-1,2,4-triazole?
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole has a molecular weight of 185.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 61338880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).