1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol

C12H18N4O3 — CID 119036687

IUPAC1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H18N4O3/c1-9(2)7-18-8-10(17)6-16-14-12(13-15-16)11-4-3-5-19-11/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyIZTHBPYIHHYDMX-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.97
Rot. Bonds7

About 1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol

1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 119036687) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol
PubChem CID119036687
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H18N4O3/c1-9(2)7-18-8-10(17)6-16-14-12(13-15-16)11-4-3-5-19-11/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyIZTHBPYIHHYDMX-UHFFFAOYSA-N
XLogP0.97
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol (CID 119036687) is 1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)Cn1nnc(-c2ccco2)n1.
What is the InChIKey of 1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is IZTHBPYIHHYDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9(2)7-18-8-10(17)6-16-14-12(13-15-16)11-4-3-5-19-11/h3-5,9-10,17H,6-8H2,1-2H3.
What are the key properties of 1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol?
1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 266.30 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)tetrazol-2-yl]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 119036687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).