5-(imidazol-1-ylmethyl)-1-phenyltetrazole

C11H10N6 — CID 36795770

IUPAC5-(imidazol-1-ylmethyl)-1-phenyltetrazole
SMILESc1ccc(-n2nnnc2Cn2ccnc2)cc1
InChIInChI=1S/C11H10N6/c1-2-4-10(5-3-1)17-11(13-14-15-17)8-16-7-6-12-9-16/h1-7,9H,8H2
InChIKeyWNTPHTOEQQYQJM-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.91
Rot. Bonds3

About 5-(imidazol-1-ylmethyl)-1-phenyltetrazole

5-(imidazol-1-ylmethyl)-1-phenyltetrazole (PubChem CID 36795770) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-1-phenyltetrazole
PubChem CID36795770
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name5-(imidazol-1-ylmethyl)-1-phenyltetrazole
SMILESc1ccc(-n2nnnc2Cn2ccnc2)cc1
InChIInChI=1S/C11H10N6/c1-2-4-10(5-3-1)17-11(13-14-15-17)8-16-7-6-12-9-16/h1-7,9H,8H2
InChIKeyWNTPHTOEQQYQJM-UHFFFAOYSA-N
XLogP0.91
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine
CID 62625643
1-phenyl-5-(triazol-1-ylmethyl)tetrazole
CID 86816510
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine
CID 133287796
(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410432
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole
CID 96568398
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919

Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-1-phenyltetrazole?
The IUPAC name of 5-(imidazol-1-ylmethyl)-1-phenyltetrazole (CID 36795770) is 5-(imidazol-1-ylmethyl)-1-phenyltetrazole.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-1-phenyltetrazole?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-1-phenyltetrazole is c1ccc(-n2nnnc2Cn2ccnc2)cc1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-1-phenyltetrazole?
The InChIKey is WNTPHTOEQQYQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-2-4-10(5-3-1)17-11(13-14-15-17)8-16-7-6-12-9-16/h1-7,9H,8H2.
What are the key properties of 5-(imidazol-1-ylmethyl)-1-phenyltetrazole?
5-(imidazol-1-ylmethyl)-1-phenyltetrazole has a molecular weight of 226.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-1-phenyltetrazole is sourced from PubChem (CID 36795770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).