1,4-dimethylimidazole;1,4-dimethyltriazole

C9H15N5 — CID 158611748

IUPAC1,4-dimethylimidazole;1,4-dimethyltriazole
SMILESCc1cn(C)cn1.Cc1cn(C)nn1
InChIInChI=1S/C5H8N2.C4H7N3/c1-5-3-7(2)4-6-5;1-4-3-7(2)6-5-4/h3-4H,1-2H3;3H,1-2H3
InChIKeyHWXNRGMWGIGCHH-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.85
Rot. Bonds

About 1,4-dimethylimidazole;1,4-dimethyltriazole

1,4-dimethylimidazole;1,4-dimethyltriazole (PubChem CID 158611748) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1,4-dimethylimidazole;1,4-dimethyltriazole.

Molecular Properties

Compound Name1,4-dimethylimidazole;1,4-dimethyltriazole
PubChem CID158611748
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1,4-dimethylimidazole;1,4-dimethyltriazole
SMILESCc1cn(C)cn1.Cc1cn(C)nn1
InChIInChI=1S/C5H8N2.C4H7N3/c1-5-3-7(2)4-6-5;1-4-3-7(2)6-5-4/h3-4H,1-2H3;3H,1-2H3
InChIKeyHWXNRGMWGIGCHH-UHFFFAOYSA-N
XLogP0.85
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;1,4-dimethyltriazole?
The IUPAC name of 1,4-dimethylimidazole;1,4-dimethyltriazole (CID 158611748) is 1,4-dimethylimidazole;1,4-dimethyltriazole.
What is the SMILES notation for 1,4-dimethylimidazole;1,4-dimethyltriazole?
The canonical SMILES for 1,4-dimethylimidazole;1,4-dimethyltriazole is Cc1cn(C)cn1.Cc1cn(C)nn1.
What is the InChIKey of 1,4-dimethylimidazole;1,4-dimethyltriazole?
The InChIKey is HWXNRGMWGIGCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C4H7N3/c1-5-3-7(2)4-6-5;1-4-3-7(2)6-5-4/h3-4H,1-2H3;3H,1-2H3.
What are the key properties of 1,4-dimethylimidazole;1,4-dimethyltriazole?
1,4-dimethylimidazole;1,4-dimethyltriazole has a molecular weight of 193.25 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;1,4-dimethyltriazole is sourced from PubChem (CID 158611748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).