4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol

C12H17N5O — CID 3029870

IUPAC4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol
SMILESCCN(CC)Cc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C12H17N5O/c1-3-16(4-2)9-12-13-14-15-17(12)10-5-7-11(18)8-6-10/h5-8,18H,3-4,9H2,1-2H3
InChIKeyXQCGXCOBSYTEPE-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.21
Rot. Bonds5

About 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol

4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol (PubChem CID 3029870) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol
PubChem CID3029870
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol
SMILESCCN(CC)Cc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C12H17N5O/c1-3-16(4-2)9-12-13-14-15-17(12)10-5-7-11(18)8-6-10/h5-8,18H,3-4,9H2,1-2H3
InChIKeyXQCGXCOBSYTEPE-UHFFFAOYSA-N
XLogP1.21
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 542910
2-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]phenol
CID 2419802
4-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]phenol
CID 2480492
N'-methyl-N'-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]ethane-1,2-diamine
CID 156009479
1-(4-Methoxyphenyl)-5-(2-dimethylaminoethenyl)-1H-tetrazole
CID 5367722
2-fluoro-4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 58114323
N,N'-dimethyl-N'-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methyl]ethane-1,2-diamine
CID 156019287
3-(5-methyl-1H-tetrazol-1-yl)phenol
CID 16765171
({[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}sulfamoyl)dimethylamine
CID 41568588
4-(5-Methylsulfanyl-tetrazol-1-yl)-phenol
CID 8177440
1-(4-Methoxyphenyl)-5-methyltetrazole
CID 12409991
4-(5-Methyl-1h-1,2,4-triazol-1-yl)phenol
CID 13019894

Frequently Asked Questions

What is the IUPAC name of 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol (CID 3029870) is 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol is CCN(CC)Cc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol?
The InChIKey is XQCGXCOBSYTEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-16(4-2)9-12-13-14-15-17(12)10-5-7-11(18)8-6-10/h5-8,18H,3-4,9H2,1-2H3.
What are the key properties of 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol?
4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol has a molecular weight of 247.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol is sourced from PubChem (CID 3029870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).