5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole

C7H10N6 — CID 57254365

IUPAC5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole
SMILESCCc1ncc(Cc2nn[nH]n2)[nH]1
InChIInChI=1S/C7H10N6/c1-2-6-8-4-5(9-6)3-7-10-12-13-11-7/h4H,2-3H2,1H3,(H,8,9)(H,10,11,12,13)
InChIKeyPMXSTTCTYNYXBY-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.08
Rot. Bonds3

About 5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole

5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole (PubChem CID 57254365) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole
PubChem CID57254365
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole
SMILESCCc1ncc(Cc2nn[nH]n2)[nH]1
InChIInChI=1S/C7H10N6/c1-2-6-8-4-5(9-6)3-7-10-12-13-11-7/h4H,2-3H2,1H3,(H,8,9)(H,10,11,12,13)
InChIKeyPMXSTTCTYNYXBY-UHFFFAOYSA-N
XLogP0.08
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole (CID 57254365) is 5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole is CCc1ncc(Cc2nn[nH]n2)[nH]1.
What is the InChIKey of 5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole?
The InChIKey is PMXSTTCTYNYXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-2-6-8-4-5(9-6)3-7-10-12-13-11-7/h4H,2-3H2,1H3,(H,8,9)(H,10,11,12,13).
What are the key properties of 5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole?
5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole has a molecular weight of 178.20 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-1H-imidazol-5-yl)methyl]-2H-tetrazole is sourced from PubChem (CID 57254365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).