5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole

C8H12N6 — CID 19771043

IUPAC5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole
SMILESCCc1nnnn1Cc1cncn1C
InChIInChI=1S/C8H12N6/c1-3-8-10-11-12-14(8)5-7-4-9-6-13(7)2/h4,6H,3,5H2,1-2H3
InChIKeyWRLSJHUYGMRRHU-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.02
Rot. Bonds3

About 5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole

5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole (PubChem CID 19771043) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole.

Molecular Properties

Compound Name5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole
PubChem CID19771043
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole
SMILESCCc1nnnn1Cc1cncn1C
InChIInChI=1S/C8H12N6/c1-3-8-10-11-12-14(8)5-7-4-9-6-13(7)2/h4,6H,3,5H2,1-2H3
InChIKeyWRLSJHUYGMRRHU-UHFFFAOYSA-N
XLogP0.02
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole?
The IUPAC name of 5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole (CID 19771043) is 5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole.
What is the SMILES notation for 5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole?
The canonical SMILES for 5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole is CCc1nnnn1Cc1cncn1C.
What is the InChIKey of 5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole?
The InChIKey is WRLSJHUYGMRRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-3-8-10-11-12-14(8)5-7-4-9-6-13(7)2/h4,6H,3,5H2,1-2H3.
What are the key properties of 5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole?
5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole has a molecular weight of 192.23 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole is sourced from PubChem (CID 19771043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).