4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol

C12H17N5OS — CID 115872263

IUPAC4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
SMILESCN(C)CCCSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C12H17N5OS/c1-16(2)8-3-9-19-12-13-14-15-17(12)10-4-6-11(18)7-5-10/h4-7,18H,3,8-9H2,1-2H3
InChIKeyABNANZOQSWAVPO-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.41
Rot. Bonds6

About 4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol

4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 115872263) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
PubChem CID115872263
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
SMILESCN(C)CCCSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C12H17N5OS/c1-16(2)8-3-9-19-12-13-14-15-17(12)10-4-6-11(18)7-5-10/h4-7,18H,3,8-9H2,1-2H3
InChIKeyABNANZOQSWAVPO-UHFFFAOYSA-N
XLogP1.41
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol 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

4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
CID 60801602
4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol
CID 7629751
N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8793085
4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
CID 106933316
4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
CID 54937608
N',N'-dimethyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]ethane-1,2-diamine
CID 62578094
4-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931394
4-[5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]tetrazol-1-yl]phenol
CID 60912121
4-[5-(4-aminobut-2-enylsulfanyl)tetrazol-1-yl]phenol
CID 77110422
4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol
CID 63150358
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 7474218

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol (CID 115872263) is 4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol is CN(C)CCCSc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is ABNANZOQSWAVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-16(2)8-3-9-19-12-13-14-15-17(12)10-4-6-11(18)7-5-10/h4-7,18H,3,8-9H2,1-2H3.
What are the key properties of 4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 279.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 115872263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).