5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole

C8H12N6 — CID 107054413

IUPAC5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole
SMILESCc1ncn(Cc2nnn(C)n2)c1C
InChIInChI=1S/C8H12N6/c1-6-7(2)14(5-9-6)4-8-10-12-13(3)11-8/h5H,4H2,1-3H3
InChIKeyWSIQKLCIPKLDFA-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.07
Rot. Bonds2

About 5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole

5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole (PubChem CID 107054413) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole
PubChem CID107054413
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole
SMILESCc1ncn(Cc2nnn(C)n2)c1C
InChIInChI=1S/C8H12N6/c1-6-7(2)14(5-9-6)4-8-10-12-13(3)11-8/h5H,4H2,1-3H3
InChIKeyWSIQKLCIPKLDFA-UHFFFAOYSA-N
XLogP0.07
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole?
The IUPAC name of 5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole (CID 107054413) is 5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole?
The canonical SMILES for 5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole is Cc1ncn(Cc2nnn(C)n2)c1C.
What is the InChIKey of 5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole?
The InChIKey is WSIQKLCIPKLDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-6-7(2)14(5-9-6)4-8-10-12-13(3)11-8/h5H,4H2,1-3H3.
What are the key properties of 5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole?
5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole has a molecular weight of 192.23 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethylimidazol-1-yl)methyl]-2-methyltetrazole is sourced from PubChem (CID 107054413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).