3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole

C7H9N5 — CID 18726719

IUPAC3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole
SMILESCc1nnc(-n2ccnc2)n1C
InChIInChI=1S/C7H9N5/c1-6-9-10-7(11(6)2)12-4-3-8-5-12/h3-5H,1-2H3
InChIKeyVFUZGTYMXZJUTC-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.31
Rot. Bonds1

About 3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole

3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole (PubChem CID 18726719) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole
PubChem CID18726719
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole
SMILESCc1nnc(-n2ccnc2)n1C
InChIInChI=1S/C7H9N5/c1-6-9-10-7(11(6)2)12-4-3-8-5-12/h3-5H,1-2H3
InChIKeyVFUZGTYMXZJUTC-UHFFFAOYSA-N
XLogP0.31
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole (CID 18726719) is 3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole is Cc1nnc(-n2ccnc2)n1C.
What is the InChIKey of 3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole?
The InChIKey is VFUZGTYMXZJUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-6-9-10-7(11(6)2)12-4-3-8-5-12/h3-5H,1-2H3.
What are the key properties of 3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole?
3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole has a molecular weight of 163.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-4,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 18726719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).