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

C6H9F3N4 — CID 114995462

IUPAC2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(NCC(F)(F)F)c(N)[nH]1
InChIInChI=1S/C6H9F3N4/c1-3-12-4(10)5(13-3)11-2-6(7,8)9/h11H,2,10H2,1H3,(H,12,13)
InChIKeyYADPRPHOUHAHSZ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.27
Rot. Bonds2

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

2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine (PubChem CID 114995462) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
PubChem CID114995462
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(NCC(F)(F)F)c(N)[nH]1
InChIInChI=1S/C6H9F3N4/c1-3-12-4(10)5(13-3)11-2-6(7,8)9/h11H,2,10H2,1H3,(H,12,13)
InChIKeyYADPRPHOUHAHSZ-UHFFFAOYSA-N
XLogP1.27
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The IUPAC name of 2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine (CID 114995462) is 2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine is Cc1nc(NCC(F)(F)F)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The InChIKey is YADPRPHOUHAHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c1-3-12-4(10)5(13-3)11-2-6(7,8)9/h11H,2,10H2,1H3,(H,12,13).
What are the key properties of 2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine has a molecular weight of 194.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine is sourced from PubChem (CID 114995462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).