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

C12H18ClN5O — CID 3029869

IUPAC4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride
SMILESCCN(CC)Cc1nnnn1-c1ccc(O)cc1.Cl
InChIInChI=1S/C12H17N5O.ClH/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;1H
InChIKeyXAOIAUMSVCNCMP-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.63
Rot. Bonds5

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

4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride (PubChem CID 3029869) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride
PubChem CID3029869
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride
SMILESCCN(CC)Cc1nnnn1-c1ccc(O)cc1.Cl
InChIInChI=1S/C12H17N5O.ClH/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;1H
InChIKeyXAOIAUMSVCNCMP-UHFFFAOYSA-N
XLogP1.63
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride?
The IUPAC name of 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride (CID 3029869) is 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride.
What is the SMILES notation for 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride?
The canonical SMILES for 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride is CCN(CC)Cc1nnnn1-c1ccc(O)cc1.Cl.
What is the InChIKey of 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride?
The InChIKey is XAOIAUMSVCNCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O.ClH/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;1H.
What are the key properties of 4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride?
4-[5-(diethylaminomethyl)tetrazol-1-yl]phenol;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 1.63, 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;hydrochloride is sourced from PubChem (CID 3029869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).