[4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine

C9H10F6N4 — CID 103311331

IUPAC[4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(C(C(F)(F)F)C(F)(F)F)n1C1CC1
InChIInChI=1S/C9H10F6N4/c10-8(11,12)6(9(13,14)15)7-18-17-5(3-16)19(7)4-1-2-4/h4,6H,1-3,16H2
InChIKeyCLSDIRPLPNROOW-UHFFFAOYSA-N
MW288.20 g/mol
LogP2.28
Rot. Bonds3

About [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine

[4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 103311331) has the molecular formula C9H10F6N4 and a molecular weight of 288.20 g/mol. Its IUPAC name is [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine
PubChem CID103311331
Molecular FormulaC9H10F6N4
Molecular Weight288.20 g/mol
Exact Mass288.08
IUPAC Name[4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(C(C(F)(F)F)C(F)(F)F)n1C1CC1
InChIInChI=1S/C9H10F6N4/c10-8(11,12)6(9(13,14)15)7-18-17-5(3-16)19(7)4-1-2-4/h4,6H,1-3,16H2
InChIKeyCLSDIRPLPNROOW-UHFFFAOYSA-N
XLogP2.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine 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-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine (CID 103311331) is [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine is NCc1nnc(C(C(F)(F)F)C(F)(F)F)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is CLSDIRPLPNROOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N4/c10-8(11,12)6(9(13,14)15)7-18-17-5(3-16)19(7)4-1-2-4/h4,6H,1-3,16H2.
What are the key properties of [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine?
[4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 288.20 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 103311331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).