4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine

C9H13F3N4 — CID 114997921

IUPAC4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(N(CC(F)(F)F)C2CC2)c(N)[nH]1
InChIInChI=1S/C9H13F3N4/c1-5-14-7(13)8(15-5)16(6-2-3-6)4-9(10,11)12/h6H,2-4,13H2,1H3,(H,14,15)
InChIKeySKQROTOKEDQZMW-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.83
Rot. Bonds3

About 4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine

4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine (PubChem CID 114997921) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
PubChem CID114997921
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(N(CC(F)(F)F)C2CC2)c(N)[nH]1
InChIInChI=1S/C9H13F3N4/c1-5-14-7(13)8(15-5)16(6-2-3-6)4-9(10,11)12/h6H,2-4,13H2,1H3,(H,14,15)
InChIKeySKQROTOKEDQZMW-UHFFFAOYSA-N
XLogP1.83
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine (CID 114997921) is 4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine is Cc1nc(N(CC(F)(F)F)C2CC2)c(N)[nH]1.
What is the InChIKey of 4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The InChIKey is SKQROTOKEDQZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-5-14-7(13)8(15-5)16(6-2-3-6)4-9(10,11)12/h6H,2-4,13H2,1H3,(H,14,15).
What are the key properties of 4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine has a molecular weight of 234.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine is sourced from PubChem (CID 114997921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).