4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol

C13H15N3O3 — CID 66921747

IUPAC4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol
SMILESOc1ccc(-n2nnc(O)c2C2CCCC2)c(O)c1
InChIInChI=1S/C13H15N3O3/c17-9-5-6-10(11(18)7-9)16-12(13(19)14-15-16)8-3-1-2-4-8/h5-8,17-19H,1-4H2
InChIKeyBLNMRNWLCPEDOW-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.04
Rot. Bonds2

About 4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol

4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol (PubChem CID 66921747) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol
PubChem CID66921747
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol
SMILESOc1ccc(-n2nnc(O)c2C2CCCC2)c(O)c1
InChIInChI=1S/C13H15N3O3/c17-9-5-6-10(11(18)7-9)16-12(13(19)14-15-16)8-3-1-2-4-8/h5-8,17-19H,1-4H2
InChIKeyBLNMRNWLCPEDOW-UHFFFAOYSA-N
XLogP2.04
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol?
The IUPAC name of 4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol (CID 66921747) is 4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol?
The canonical SMILES for 4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol is Oc1ccc(-n2nnc(O)c2C2CCCC2)c(O)c1.
What is the InChIKey of 4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol?
The InChIKey is BLNMRNWLCPEDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-9-5-6-10(11(18)7-9)16-12(13(19)14-15-16)8-3-1-2-4-8/h5-8,17-19H,1-4H2.
What are the key properties of 4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol?
4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol has a molecular weight of 261.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol is sourced from PubChem (CID 66921747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).