5-methyl-1H-imidazole;5-methyl-3H-pyrrole

C9H13N3 — CID 160657392

IUPAC5-methyl-1H-imidazole;5-methyl-3H-pyrrole
SMILESCC1=CCC=N1.Cc1cnc[nH]1
InChIInChI=1S/C5H7N.C4H6N2/c1-5-3-2-4-6-5;1-4-2-5-3-6-4/h3-4H,2H2,1H3;2-3H,1H3,(H,5,6)
InChIKeyRLFNEOSGXQZCDC-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.08
Rot. Bonds

About 5-methyl-1H-imidazole;5-methyl-3H-pyrrole

5-methyl-1H-imidazole;5-methyl-3H-pyrrole (PubChem CID 160657392) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-methyl-1H-imidazole;5-methyl-3H-pyrrole.

Molecular Properties

Compound Name5-methyl-1H-imidazole;5-methyl-3H-pyrrole
PubChem CID160657392
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-methyl-1H-imidazole;5-methyl-3H-pyrrole
SMILESCC1=CCC=N1.Cc1cnc[nH]1
InChIInChI=1S/C5H7N.C4H6N2/c1-5-3-2-4-6-5;1-4-2-5-3-6-4/h3-4H,2H2,1H3;2-3H,1H3,(H,5,6)
InChIKeyRLFNEOSGXQZCDC-UHFFFAOYSA-N
XLogP2.08
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazole;5-methyl-3H-pyrrole?
The IUPAC name of 5-methyl-1H-imidazole;5-methyl-3H-pyrrole (CID 160657392) is 5-methyl-1H-imidazole;5-methyl-3H-pyrrole.
What is the SMILES notation for 5-methyl-1H-imidazole;5-methyl-3H-pyrrole?
The canonical SMILES for 5-methyl-1H-imidazole;5-methyl-3H-pyrrole is CC1=CCC=N1.Cc1cnc[nH]1.
What is the InChIKey of 5-methyl-1H-imidazole;5-methyl-3H-pyrrole?
The InChIKey is RLFNEOSGXQZCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H6N2/c1-5-3-2-4-6-5;1-4-2-5-3-6-4/h3-4H,2H2,1H3;2-3H,1H3,(H,5,6).
What are the key properties of 5-methyl-1H-imidazole;5-methyl-3H-pyrrole?
5-methyl-1H-imidazole;5-methyl-3H-pyrrole has a molecular weight of 163.22 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-imidazole;5-methyl-3H-pyrrole is sourced from PubChem (CID 160657392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).