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

C8H12N6 — CID 21321304

IUPAC5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole
SMILESCC(C)n1ccnc1Cc1nn[nH]n1
InChIInChI=1S/C8H12N6/c1-6(2)14-4-3-9-8(14)5-7-10-12-13-11-7/h3-4,6H,5H2,1-2H3,(H,10,11,12,13)
InChIKeyHGARPYCRAHSFLM-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.57
Rot. Bonds3

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

5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole (PubChem CID 21321304) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole
PubChem CID21321304
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole
SMILESCC(C)n1ccnc1Cc1nn[nH]n1
InChIInChI=1S/C8H12N6/c1-6(2)14-4-3-9-8(14)5-7-10-12-13-11-7/h3-4,6H,5H2,1-2H3,(H,10,11,12,13)
InChIKeyHGARPYCRAHSFLM-UHFFFAOYSA-N
XLogP0.57
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole (CID 21321304) is 5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole is CC(C)n1ccnc1Cc1nn[nH]n1.
What is the InChIKey of 5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole?
The InChIKey is HGARPYCRAHSFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-6(2)14-4-3-9-8(14)5-7-10-12-13-11-7/h3-4,6H,5H2,1-2H3,(H,10,11,12,13).
What are the key properties of 5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole?
5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole has a molecular weight of 192.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propan-2-ylimidazol-2-yl)methyl]-2H-tetrazole is sourced from PubChem (CID 21321304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).