3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride

C11H14ClN5O2 — CID 53444484

IUPAC3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride
SMILESCN(C)Cc1nnnn1-c1cccc(C(=O)O)c1.Cl
InChIInChI=1S/C11H13N5O2.ClH/c1-15(2)7-10-12-13-14-16(10)9-5-3-4-8(6-9)11(17)18;/h3-6H,7H2,1-2H3,(H,17,18);1H
InChIKeyFWZBGLBVHDYMPE-UHFFFAOYSA-N
MW283.72 g/mol
LogP0.84
Rot. Bonds4

About 3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride

3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride (PubChem CID 53444484) has the molecular formula C11H14ClN5O2 and a molecular weight of 283.72 g/mol. Its IUPAC name is 3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride
PubChem CID53444484
Molecular FormulaC11H14ClN5O2
Molecular Weight283.72 g/mol
Exact Mass283.08
IUPAC Name3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride
SMILESCN(C)Cc1nnnn1-c1cccc(C(=O)O)c1.Cl
InChIInChI=1S/C11H13N5O2.ClH/c1-15(2)7-10-12-13-14-16(10)9-5-3-4-8(6-9)11(17)18;/h3-6H,7H2,1-2H3,(H,17,18);1H
InChIKeyFWZBGLBVHDYMPE-UHFFFAOYSA-N
XLogP0.84
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid
CID 79263009
[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
CID 125021773
3-[4-(2-carboxyethyl)-5-methyltriazol-1-yl]benzoic acid
CID 82197377
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
propan-2-yl 3-[5-(2-aminoethyl)tetrazol-1-yl]benzoate
CID 82228047
4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700
3-(benzotriazol-1-yl)benzoic acid
CID 63942082
1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 18088026
3-[4-(hydroxymethyl)-5-propan-2-yltriazol-1-yl]benzoic acid
CID 82197303
3-(4,5,6,7-tetrahydrobenzotriazol-1-yl)benzoic acid
CID 82222664
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
3-(3,5-diethylpyrazol-1-yl)benzoic acid
CID 82695411

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride?
The IUPAC name of 3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride (CID 53444484) is 3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride.
What is the SMILES notation for 3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride?
The canonical SMILES for 3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride is CN(C)Cc1nnnn1-c1cccc(C(=O)O)c1.Cl.
What is the InChIKey of 3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride?
The InChIKey is FWZBGLBVHDYMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2.ClH/c1-15(2)7-10-12-13-14-16(10)9-5-3-4-8(6-9)11(17)18;/h3-6H,7H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride?
3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride has a molecular weight of 283.72 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride is sourced from PubChem (CID 53444484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).