1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol

C14H18N4O — CID 126814310

IUPAC1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)Cn1nnc(C2CC2)n1
InChIInChI=1S/C14H18N4O/c19-13(9-6-11-4-2-1-3-5-11)10-18-16-14(15-17-18)12-7-8-12/h1-5,12-13,19H,6-10H2
InChIKeyUSIILWFODCOFQA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.54
Rot. Bonds6

About 1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol

1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol (PubChem CID 126814310) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol
PubChem CID126814310
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)Cn1nnc(C2CC2)n1
InChIInChI=1S/C14H18N4O/c19-13(9-6-11-4-2-1-3-5-11)10-18-16-14(15-17-18)12-7-8-12/h1-5,12-13,19H,6-10H2
InChIKeyUSIILWFODCOFQA-UHFFFAOYSA-N
XLogP1.54
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol?
The IUPAC name of 1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol (CID 126814310) is 1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol.
What is the SMILES notation for 1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol?
The canonical SMILES for 1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol is OC(CCc1ccccc1)Cn1nnc(C2CC2)n1.
What is the InChIKey of 1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol?
The InChIKey is USIILWFODCOFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-13(9-6-11-4-2-1-3-5-11)10-18-16-14(15-17-18)12-7-8-12/h1-5,12-13,19H,6-10H2.
What are the key properties of 1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol?
1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol has a molecular weight of 258.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol is sourced from PubChem (CID 126814310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).