1-phenyl-5-(triazol-1-ylmethyl)tetrazole

C10H9N7 — CID 86816510

IUPAC1-phenyl-5-(triazol-1-ylmethyl)tetrazole
SMILESc1ccc(-n2nnnc2Cn2ccnn2)cc1
InChIInChI=1S/C10H9N7/c1-2-4-9(5-3-1)17-10(12-13-15-17)8-16-7-6-11-14-16/h1-7H,8H2
InChIKeyXCXLHNRPRQAERK-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.30
Rot. Bonds3

About 1-phenyl-5-(triazol-1-ylmethyl)tetrazole

1-phenyl-5-(triazol-1-ylmethyl)tetrazole (PubChem CID 86816510) has the molecular formula C10H9N7 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-phenyl-5-(triazol-1-ylmethyl)tetrazole.

Molecular Properties

Compound Name1-phenyl-5-(triazol-1-ylmethyl)tetrazole
PubChem CID86816510
Molecular FormulaC10H9N7
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name1-phenyl-5-(triazol-1-ylmethyl)tetrazole
SMILESc1ccc(-n2nnnc2Cn2ccnn2)cc1
InChIInChI=1S/C10H9N7/c1-2-4-9(5-3-1)17-10(12-13-15-17)8-16-7-6-11-14-16/h1-7H,8H2
InChIKeyXCXLHNRPRQAERK-UHFFFAOYSA-N
XLogP0.30
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(imidazol-1-ylmethyl)-1-phenyltetrazole
CID 36795770
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
1-benzyltriazole
CID 141250243
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410432
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole
CID 96568398
5-butyl-1-phenyltetrazole
CID 69031432
(1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine
CID 99851340
1-phenyl-3-(triazol-1-ylmethyl)-1,2,4-triazole
CID 86816522

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(triazol-1-ylmethyl)tetrazole?
The IUPAC name of 1-phenyl-5-(triazol-1-ylmethyl)tetrazole (CID 86816510) is 1-phenyl-5-(triazol-1-ylmethyl)tetrazole.
What is the SMILES notation for 1-phenyl-5-(triazol-1-ylmethyl)tetrazole?
The canonical SMILES for 1-phenyl-5-(triazol-1-ylmethyl)tetrazole is c1ccc(-n2nnnc2Cn2ccnn2)cc1.
What is the InChIKey of 1-phenyl-5-(triazol-1-ylmethyl)tetrazole?
The InChIKey is XCXLHNRPRQAERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7/c1-2-4-9(5-3-1)17-10(12-13-15-17)8-16-7-6-11-14-16/h1-7H,8H2.
What are the key properties of 1-phenyl-5-(triazol-1-ylmethyl)tetrazole?
1-phenyl-5-(triazol-1-ylmethyl)tetrazole has a molecular weight of 227.23 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(triazol-1-ylmethyl)tetrazole is sourced from PubChem (CID 86816510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).