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

C6H8N6 — CID 3048689

IUPAC5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole
SMILESCn1ccnc1Cc1nn[nH]n1
InChIInChI=1S/C6H8N6/c1-12-3-2-7-6(12)4-5-8-10-11-9-5/h2-3H,4H2,1H3,(H,8,9,10,11)
InChIKeyUPLAWUWUOQEOAO-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.48
Rot. Bonds2

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

5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole (PubChem CID 3048689) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole
PubChem CID3048689
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole
SMILESCn1ccnc1Cc1nn[nH]n1
InChIInChI=1S/C6H8N6/c1-12-3-2-7-6(12)4-5-8-10-11-9-5/h2-3H,4H2,1H3,(H,8,9,10,11)
InChIKeyUPLAWUWUOQEOAO-UHFFFAOYSA-N
XLogP-0.48
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole (CID 3048689) is 5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole is Cn1ccnc1Cc1nn[nH]n1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole?
The InChIKey is UPLAWUWUOQEOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-12-3-2-7-6(12)4-5-8-10-11-9-5/h2-3H,4H2,1H3,(H,8,9,10,11).
What are the key properties of 5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole?
5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole has a molecular weight of 164.17 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole is sourced from PubChem (CID 3048689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).