1-(1-phenyltetrazol-5-yl)hexan-3-ol

C13H18N4O — CID 79422541

IUPAC1-(1-phenyltetrazol-5-yl)hexan-3-ol
SMILESCCCC(O)CCc1nnnn1-c1ccccc1
InChIInChI=1S/C13H18N4O/c1-2-6-12(18)9-10-13-14-15-16-17(13)11-7-4-3-5-8-11/h3-5,7-8,12,18H,2,6,9-10H2,1H3
InChIKeyMYWNJPABZNNLIQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.76
Rot. Bonds6

About 1-(1-phenyltetrazol-5-yl)hexan-3-ol

1-(1-phenyltetrazol-5-yl)hexan-3-ol (PubChem CID 79422541) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(1-phenyltetrazol-5-yl)hexan-3-ol.

Molecular Properties

Compound Name1-(1-phenyltetrazol-5-yl)hexan-3-ol
PubChem CID79422541
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(1-phenyltetrazol-5-yl)hexan-3-ol
SMILESCCCC(O)CCc1nnnn1-c1ccccc1
InChIInChI=1S/C13H18N4O/c1-2-6-12(18)9-10-13-14-15-16-17(13)11-7-4-3-5-8-11/h3-5,7-8,12,18H,2,6,9-10H2,1H3
InChIKeyMYWNJPABZNNLIQ-UHFFFAOYSA-N
XLogP1.76
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-butyl-1-phenyltetrazole
CID 69031432
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63198408
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792
5-[2-(2-methyloxiran-2-yl)ethyl]-1-phenyltetrazole
CID 87852403
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltetrazol-5-yl)hexan-3-ol?
The IUPAC name of 1-(1-phenyltetrazol-5-yl)hexan-3-ol (CID 79422541) is 1-(1-phenyltetrazol-5-yl)hexan-3-ol.
What is the SMILES notation for 1-(1-phenyltetrazol-5-yl)hexan-3-ol?
The canonical SMILES for 1-(1-phenyltetrazol-5-yl)hexan-3-ol is CCCC(O)CCc1nnnn1-c1ccccc1.
What is the InChIKey of 1-(1-phenyltetrazol-5-yl)hexan-3-ol?
The InChIKey is MYWNJPABZNNLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-6-12(18)9-10-13-14-15-16-17(13)11-7-4-3-5-8-11/h3-5,7-8,12,18H,2,6,9-10H2,1H3.
What are the key properties of 1-(1-phenyltetrazol-5-yl)hexan-3-ol?
1-(1-phenyltetrazol-5-yl)hexan-3-ol has a molecular weight of 246.31 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltetrazol-5-yl)hexan-3-ol is sourced from PubChem (CID 79422541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).