3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine

C8H12N6 — CID 98774032

IUPAC3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine
SMILESCc1nc(Cn2cnnc2)n(C)c1N
InChIInChI=1S/C8H12N6/c1-6-8(9)13(2)7(12-6)3-14-4-10-11-5-14/h4-5H,3,9H2,1-2H3
InChIKeyJNOOTHVGUUCLIX-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.05
Rot. Bonds2

About 3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine

3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine (PubChem CID 98774032) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine
PubChem CID98774032
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine
SMILESCc1nc(Cn2cnnc2)n(C)c1N
InChIInChI=1S/C8H12N6/c1-6-8(9)13(2)7(12-6)3-14-4-10-11-5-14/h4-5H,3,9H2,1-2H3
InChIKeyJNOOTHVGUUCLIX-UHFFFAOYSA-N
XLogP-0.05
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine?
The IUPAC name of 3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine (CID 98774032) is 3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine?
The canonical SMILES for 3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine is Cc1nc(Cn2cnnc2)n(C)c1N.
What is the InChIKey of 3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine?
The InChIKey is JNOOTHVGUUCLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-6-8(9)13(2)7(12-6)3-14-4-10-11-5-14/h4-5H,3,9H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine?
3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine has a molecular weight of 192.23 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(1,2,4-triazol-4-ylmethyl)imidazol-4-amine is sourced from PubChem (CID 98774032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).