4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol

C14H19N3O2 — CID 115466919

IUPAC4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCCCn1ncnc1CC1(O)CCCc2occc21
InChIInChI=1S/C14H19N3O2/c1-2-7-17-13(15-10-16-17)9-14(18)6-3-4-12-11(14)5-8-19-12/h5,8,10,18H,2-4,6-7,9H2,1H3
InChIKeyXJSINKMTTLJZEV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.05
Rot. Bonds4

About 4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol

4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 115466919) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID115466919
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCCCn1ncnc1CC1(O)CCCc2occc21
InChIInChI=1S/C14H19N3O2/c1-2-7-17-13(15-10-16-17)9-14(18)6-3-4-12-11(14)5-8-19-12/h5,8,10,18H,2-4,6-7,9H2,1H3
InChIKeyXJSINKMTTLJZEV-UHFFFAOYSA-N
XLogP2.05
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol (CID 115466919) is 4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol is CCCn1ncnc1CC1(O)CCCc2occc21.
What is the InChIKey of 4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is XJSINKMTTLJZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-7-17-13(15-10-16-17)9-14(18)6-3-4-12-11(14)5-8-19-12/h5,8,10,18H,2-4,6-7,9H2,1H3.
What are the key properties of 4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol?
4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol has a molecular weight of 261.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 115466919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).