1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol

C9H11N3O2 — CID 53232023

IUPAC1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol
SMILESOC(CCn1cncn1)c1ccco1
InChIInChI=1S/C9H11N3O2/c13-8(9-2-1-5-14-9)3-4-12-7-10-6-11-12/h1-2,5-8,13H,3-4H2
InChIKeyZMILLDSMMPVOLK-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.99
Rot. Bonds4

About 1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol

1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol (PubChem CID 53232023) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol
PubChem CID53232023
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol
SMILESOC(CCn1cncn1)c1ccco1
InChIInChI=1S/C9H11N3O2/c13-8(9-2-1-5-14-9)3-4-12-7-10-6-11-12/h1-2,5-8,13H,3-4H2
InChIKeyZMILLDSMMPVOLK-UHFFFAOYSA-N
XLogP0.99
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol?
The IUPAC name of 1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol (CID 53232023) is 1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol.
What is the SMILES notation for 1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol?
The canonical SMILES for 1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol is OC(CCn1cncn1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol?
The InChIKey is ZMILLDSMMPVOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8(9-2-1-5-14-9)3-4-12-7-10-6-11-12/h1-2,5-8,13H,3-4H2.
What are the key properties of 1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol?
1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol has a molecular weight of 193.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(1,2,4-triazol-1-yl)propan-1-ol is sourced from PubChem (CID 53232023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).