4-(pentazol-1-yl)phenol

C6H5N5O — CID 23279380

IUPAC4-(pentazol-1-yl)phenol
SMILESOc1ccc(-n2nnnn2)cc1
InChIInChI=1S/C6H5N5O/c12-6-3-1-5(2-4-6)11-9-7-8-10-11/h1-4,12H
InChIKeyCGPNKUBKCFFUHB-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.24
Rot. Bonds1

About 4-(pentazol-1-yl)phenol

4-(pentazol-1-yl)phenol (PubChem CID 23279380) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is 4-(pentazol-1-yl)phenol.

Molecular Properties

Compound Name4-(pentazol-1-yl)phenol
PubChem CID23279380
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name4-(pentazol-1-yl)phenol
SMILESOc1ccc(-n2nnnn2)cc1
InChIInChI=1S/C6H5N5O/c12-6-3-1-5(2-4-6)11-9-7-8-10-11/h1-4,12H
InChIKeyCGPNKUBKCFFUHB-UHFFFAOYSA-N
XLogP-0.24
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Aminophenol
CID 403
4-Hydroxyazobenzene
CID 15529
4-Amino-4'-hydroxyazobenzene
CID 7640
p-((p-(Phenylazo)phenyl)azo)phenol
CID 22623
4-Diazo-2,5-cyclohexadien-1-one
CID 79130
4-Azidophenol
CID 11622340
4,4'-Dihydroxyazobenzene
CID 101245
[3-[(4-Hydroxyphenyl)diazenyl]phenyl]boronic acid
CID 135709836
4,4'-Dihydroxyazoxybenzene
CID 135404235
3-(4-Oxocyclohexa-2,5-dien-1-ylidene)carbazamidine
CID 72789
4-(~2~H_2_)Amino(O-~2~H_5_)phenol
CID 16213515
(4-Hydroxyphenyl)iminothiourea
CID 4243942

Frequently Asked Questions

What is the IUPAC name of 4-(pentazol-1-yl)phenol?
The IUPAC name of 4-(pentazol-1-yl)phenol (CID 23279380) is 4-(pentazol-1-yl)phenol.
What is the SMILES notation for 4-(pentazol-1-yl)phenol?
The canonical SMILES for 4-(pentazol-1-yl)phenol is Oc1ccc(-n2nnnn2)cc1.
What is the InChIKey of 4-(pentazol-1-yl)phenol?
The InChIKey is CGPNKUBKCFFUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c12-6-3-1-5(2-4-6)11-9-7-8-10-11/h1-4,12H.
What are the key properties of 4-(pentazol-1-yl)phenol?
4-(pentazol-1-yl)phenol has a molecular weight of 163.14 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentazol-1-yl)phenol is sourced from PubChem (CID 23279380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).