[3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone

C11H13N5O — CID 67075085

IUPAC[3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone
SMILESCN(C)c1cccc(C(=O)c2nnnn2C)c1
InChIInChI=1S/C11H13N5O/c1-15(2)9-6-4-5-8(7-9)10(17)11-12-13-14-16(11)3/h4-7H,1-3H3
InChIKeyDCLOBAGBVMUMCA-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.51
Rot. Bonds3

About [3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone

[3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone (PubChem CID 67075085) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone
PubChem CID67075085
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name[3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone
SMILESCN(C)c1cccc(C(=O)c2nnnn2C)c1
InChIInChI=1S/C11H13N5O/c1-15(2)9-6-4-5-8(7-9)10(17)11-12-13-14-16(11)3/h4-7H,1-3H3
InChIKeyDCLOBAGBVMUMCA-UHFFFAOYSA-N
XLogP0.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone 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

bis[3-(dimethylamino)phenyl]methanone
CID 14534104
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
CID 105080904
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
CID 105081243
(1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate
CID 55397232
2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid
CID 66042002
3-(dimethylamino)benzoic acid;1H-pyrrole
CID 174771753
[2-[3-(dimethylamino)phenyl]-2-oxoethyl]-dimethylsulfanium
CID 20792439
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
3-(1-aminoethenyl)-N,N-dimethylaniline
CID 163229020
N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide
CID 71989611
1-[3-(dimethylamino)phenyl]prop-2-en-1-one
CID 19375664
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone (CID 67075085) is [3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone is CN(C)c1cccc(C(=O)c2nnnn2C)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone?
The InChIKey is DCLOBAGBVMUMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-15(2)9-6-4-5-8(7-9)10(17)11-12-13-14-16(11)3/h4-7H,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone?
[3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone has a molecular weight of 231.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(1-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 67075085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).