dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium

C10H14N5+ — CID 7303876

IUPACdimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
SMILESC[NH+](C)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C10H13N5/c1-14(2)8-10-11-12-13-15(10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/p+1
InChIKeyNURBHWJLXRGKTK-UHFFFAOYSA-O
MW204.26 g/mol
LogP-0.69
Rot. Bonds3

About dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium

dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium (PubChem CID 7303876) has the molecular formula C10H14N5+ and a molecular weight of 204.26 g/mol. Its IUPAC name is dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium.

Molecular Properties

Compound Namedimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
PubChem CID7303876
Molecular FormulaC10H14N5+
Molecular Weight204.26 g/mol
Exact Mass204.12
IUPAC Namedimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
SMILESC[NH+](C)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C10H13N5/c1-14(2)8-10-11-12-13-15(10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/p+1
InChIKeyNURBHWJLXRGKTK-UHFFFAOYSA-O
XLogP-0.69
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
5-butyl-1-phenyltetrazole
CID 69031432
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
5-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-phenyltetrazole
CID 79453033
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792
(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410432
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 60702902
4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 60672744
5-[2-(chloromethyl)butyl]-1-phenyltetrazole
CID 66035227

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium?
The IUPAC name of dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium (CID 7303876) is dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium.
What is the SMILES notation for dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium?
The canonical SMILES for dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium is C[NH+](C)Cc1nnnn1-c1ccccc1.
What is the InChIKey of dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium?
The InChIKey is NURBHWJLXRGKTK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N5/c1-14(2)8-10-11-12-13-15(10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/p+1.
What are the key properties of dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium?
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium has a molecular weight of 204.26 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium is sourced from PubChem (CID 7303876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).