4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine

C9H12F3N7 — CID 166164025

IUPAC4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine
SMILESNC1=NC(N)(Cc2ccn(CC(F)(F)F)n2)N=CN1
InChIInChI=1S/C9H12F3N7/c10-8(11,12)4-19-2-1-6(18-19)3-9(14)16-5-15-7(13)17-9/h1-2,5H,3-4,14H2,(H3,13,15,16,17)
InChIKeyNZWUNYYNRIPNCQ-UHFFFAOYSA-N
MW275.24 g/mol
LogP-0.45
Rot. Bonds3

About 4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine

4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine (PubChem CID 166164025) has the molecular formula C9H12F3N7 and a molecular weight of 275.24 g/mol. Its IUPAC name is 4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine
PubChem CID166164025
Molecular FormulaC9H12F3N7
Molecular Weight275.24 g/mol
Exact Mass275.11
IUPAC Name4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine
SMILESNC1=NC(N)(Cc2ccn(CC(F)(F)F)n2)N=CN1
InChIInChI=1S/C9H12F3N7/c10-8(11,12)4-19-2-1-6(18-19)3-9(14)16-5-15-7(13)17-9/h1-2,5H,3-4,14H2,(H3,13,15,16,17)
InChIKeyNZWUNYYNRIPNCQ-UHFFFAOYSA-N
XLogP-0.45
TPSA106.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-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-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine (CID 166164025) is 4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine is NC1=NC(N)(Cc2ccn(CC(F)(F)F)n2)N=CN1.
What is the InChIKey of 4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is NZWUNYYNRIPNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N7/c10-8(11,12)4-19-2-1-6(18-19)3-9(14)16-5-15-7(13)17-9/h1-2,5H,3-4,14H2,(H3,13,15,16,17).
What are the key properties of 4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine?
4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 275.24 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 166164025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).