3-(1-phenyltetrazol-5-yl)pentan-2-ol

C12H16N4O — CID 63201375

IUPAC3-(1-phenyltetrazol-5-yl)pentan-2-ol
SMILESCCC(c1nnnn1-c1ccccc1)C(C)O
InChIInChI=1S/C12H16N4O/c1-3-11(9(2)17)12-13-14-15-16(12)10-7-5-4-6-8-10/h4-9,11,17H,3H2,1-2H3
InChIKeySTRMSDAARDKUCV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.54
Rot. Bonds4

About 3-(1-phenyltetrazol-5-yl)pentan-2-ol

3-(1-phenyltetrazol-5-yl)pentan-2-ol (PubChem CID 63201375) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(1-phenyltetrazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(1-phenyltetrazol-5-yl)pentan-2-ol
PubChem CID63201375
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(1-phenyltetrazol-5-yl)pentan-2-ol
SMILESCCC(c1nnnn1-c1ccccc1)C(C)O
InChIInChI=1S/C12H16N4O/c1-3-11(9(2)17)12-13-14-15-16(12)10-7-5-4-6-8-10/h4-9,11,17H,3H2,1-2H3
InChIKeySTRMSDAARDKUCV-UHFFFAOYSA-N
XLogP1.54
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-phenyltetrazol-5-yl)pentan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
CID 63199558
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792
(1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol
CID 94824821
5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide
CID 95628473
1-(1-phenyltetrazol-5-yl)hexan-3-ol
CID 79422541
1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol
CID 111462537
[3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol
CID 111477782
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenyltetrazol-5-yl)pentan-2-ol?
The IUPAC name of 3-(1-phenyltetrazol-5-yl)pentan-2-ol (CID 63201375) is 3-(1-phenyltetrazol-5-yl)pentan-2-ol.
What is the SMILES notation for 3-(1-phenyltetrazol-5-yl)pentan-2-ol?
The canonical SMILES for 3-(1-phenyltetrazol-5-yl)pentan-2-ol is CCC(c1nnnn1-c1ccccc1)C(C)O.
What is the InChIKey of 3-(1-phenyltetrazol-5-yl)pentan-2-ol?
The InChIKey is STRMSDAARDKUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-11(9(2)17)12-13-14-15-16(12)10-7-5-4-6-8-10/h4-9,11,17H,3H2,1-2H3.
What are the key properties of 3-(1-phenyltetrazol-5-yl)pentan-2-ol?
3-(1-phenyltetrazol-5-yl)pentan-2-ol has a molecular weight of 232.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenyltetrazol-5-yl)pentan-2-ol is sourced from PubChem (CID 63201375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).