3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine

C7H10F3N5 — CID 66277520

IUPAC3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N(CC(F)(F)F)C2CC2)n[nH]1
InChIInChI=1S/C7H10F3N5/c8-7(9,10)3-15(4-1-2-4)6-12-5(11)13-14-6/h4H,1-3H2,(H3,11,12,13,14)
InChIKeyJWZNLTGAJNQZTC-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.92
Rot. Bonds3

About 3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine

3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66277520) has the molecular formula C7H10F3N5 and a molecular weight of 221.19 g/mol. Its IUPAC name is 3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID66277520
Molecular FormulaC7H10F3N5
Molecular Weight221.19 g/mol
Exact Mass221.09
IUPAC Name3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N(CC(F)(F)F)C2CC2)n[nH]1
InChIInChI=1S/C7H10F3N5/c8-7(9,10)3-15(4-1-2-4)6-12-5(11)13-14-6/h4H,1-3H2,(H3,11,12,13,14)
InChIKeyJWZNLTGAJNQZTC-UHFFFAOYSA-N
XLogP0.92
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine (CID 66277520) is 3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine is Nc1nc(N(CC(F)(F)F)C2CC2)n[nH]1.
What is the InChIKey of 3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is JWZNLTGAJNQZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5/c8-7(9,10)3-15(4-1-2-4)6-12-5(11)13-14-6/h4H,1-3H2,(H3,11,12,13,14).
What are the key properties of 3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 221.19 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66277520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).