3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole

C10H15N5 — CID 115624813

IUPAC3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole
SMILESCc1ncn(Cc2nnc(C)n2C)c1C
InChIInChI=1S/C10H15N5/c1-7-8(2)15(6-11-7)5-10-13-12-9(3)14(10)4/h6H,5H2,1-4H3
InChIKeyPJCFQLXFQXNFPA-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.99
Rot. Bonds2

About 3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole

3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole (PubChem CID 115624813) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole
PubChem CID115624813
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole
SMILESCc1ncn(Cc2nnc(C)n2C)c1C
InChIInChI=1S/C10H15N5/c1-7-8(2)15(6-11-7)5-10-13-12-9(3)14(10)4/h6H,5H2,1-4H3
InChIKeyPJCFQLXFQXNFPA-UHFFFAOYSA-N
XLogP0.99
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole (CID 115624813) is 3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole is Cc1ncn(Cc2nnc(C)n2C)c1C.
What is the InChIKey of 3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole?
The InChIKey is PJCFQLXFQXNFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-7-8(2)15(6-11-7)5-10-13-12-9(3)14(10)4/h6H,5H2,1-4H3.
What are the key properties of 3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole?
3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole has a molecular weight of 205.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethylimidazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 115624813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).