2-methyl-1H-imidazole;triazine

C7H9N5 — CID 19778491

IUPAC2-methyl-1H-imidazole;triazine
SMILESCc1ncc[nH]1.c1cnnnc1
InChIInChI=1S/C4H6N2.C3H3N3/c1-4-5-2-3-6-4;1-2-4-6-5-3-1/h2-3H,1H3,(H,5,6);1-3H
InChIKeyLERSNMNOPLCRBR-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.59
Rot. Bonds

About 2-methyl-1H-imidazole;triazine

2-methyl-1H-imidazole;triazine (PubChem CID 19778491) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-methyl-1H-imidazole;triazine.

Molecular Properties

Compound Name2-methyl-1H-imidazole;triazine
PubChem CID19778491
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name2-methyl-1H-imidazole;triazine
SMILESCc1ncc[nH]1.c1cnnnc1
InChIInChI=1S/C4H6N2.C3H3N3/c1-4-5-2-3-6-4;1-2-4-6-5-3-1/h2-3H,1H3,(H,5,6);1-3H
InChIKeyLERSNMNOPLCRBR-UHFFFAOYSA-N
XLogP0.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazole;triazine?
The IUPAC name of 2-methyl-1H-imidazole;triazine (CID 19778491) is 2-methyl-1H-imidazole;triazine.
What is the SMILES notation for 2-methyl-1H-imidazole;triazine?
The canonical SMILES for 2-methyl-1H-imidazole;triazine is Cc1ncc[nH]1.c1cnnnc1.
What is the InChIKey of 2-methyl-1H-imidazole;triazine?
The InChIKey is LERSNMNOPLCRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C3H3N3/c1-4-5-2-3-6-4;1-2-4-6-5-3-1/h2-3H,1H3,(H,5,6);1-3H.
What are the key properties of 2-methyl-1H-imidazole;triazine?
2-methyl-1H-imidazole;triazine has a molecular weight of 163.18 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazole;triazine is sourced from PubChem (CID 19778491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).