3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole

C11H17N3O — CID 61338320

IUPAC3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole
SMILESC1CCC(c2n[nH]c(C3CCCO3)n2)C1
InChIInChI=1S/C11H17N3O/c1-2-5-8(4-1)10-12-11(14-13-10)9-6-3-7-15-9/h8-9H,1-7H2,(H,12,13,14)
InChIKeyVKSWPGRJGFVQFB-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.31
Rot. Bonds2

About 3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole

3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole (PubChem CID 61338320) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole
PubChem CID61338320
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole
SMILESC1CCC(c2n[nH]c(C3CCCO3)n2)C1
InChIInChI=1S/C11H17N3O/c1-2-5-8(4-1)10-12-11(14-13-10)9-6-3-7-15-9/h8-9H,1-7H2,(H,12,13,14)
InChIKeyVKSWPGRJGFVQFB-UHFFFAOYSA-N
XLogP2.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole (CID 61338320) is 3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole is C1CCC(c2n[nH]c(C3CCCO3)n2)C1.
What is the InChIKey of 3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole?
The InChIKey is VKSWPGRJGFVQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-5-8(4-1)10-12-11(14-13-10)9-6-3-7-15-9/h8-9H,1-7H2,(H,12,13,14).
What are the key properties of 3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole?
3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole has a molecular weight of 207.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 61338320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).