[2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol

C16H20N4O — CID 66026060

IUPAC[2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
SMILESOCC1(Cc2nnnn2-c2ccccc2)CC2CCC1C2
InChIInChI=1S/C16H20N4O/c21-11-16(9-12-6-7-13(16)8-12)10-15-17-18-19-20(15)14-4-2-1-3-5-14/h1-5,12-13,21H,6-11H2
InChIKeyYSAVZSQWSPELNO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.00
Rot. Bonds4

About [2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol

[2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 66026060) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID66026060
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
SMILESOCC1(Cc2nnnn2-c2ccccc2)CC2CCC1C2
InChIInChI=1S/C16H20N4O/c21-11-16(9-12-6-7-13(16)8-12)10-15-17-18-19-20(15)14-4-2-1-3-5-14/h1-5,12-13,21H,6-11H2
InChIKeyYSAVZSQWSPELNO-UHFFFAOYSA-N
XLogP2.00
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol 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 [2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol (CID 66026060) is [2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol is OCC1(Cc2nnnn2-c2ccccc2)CC2CCC1C2.
What is the InChIKey of [2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is YSAVZSQWSPELNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-11-16(9-12-6-7-13(16)8-12)10-15-17-18-19-20(15)14-4-2-1-3-5-14/h1-5,12-13,21H,6-11H2.
What are the key properties of [2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?
[2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 284.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 66026060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).