3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine

C6H10F3N5 — CID 66276689

IUPAC3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN(CCC(F)(F)F)c1n[nH]c(N)n1
InChIInChI=1S/C6H10F3N5/c1-14(3-2-6(7,8)9)5-11-4(10)12-13-5/h2-3H2,1H3,(H3,10,11,12,13)
InChIKeyHHXINRQDBBFGAV-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.78
Rot. Bonds3

About 3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine

3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66276689) has the molecular formula C6H10F3N5 and a molecular weight of 209.17 g/mol. Its IUPAC name is 3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID66276689
Molecular FormulaC6H10F3N5
Molecular Weight209.17 g/mol
Exact Mass209.09
IUPAC Name3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN(CCC(F)(F)F)c1n[nH]c(N)n1
InChIInChI=1S/C6H10F3N5/c1-14(3-2-6(7,8)9)5-11-4(10)12-13-5/h2-3H2,1H3,(H3,10,11,12,13)
InChIKeyHHXINRQDBBFGAV-UHFFFAOYSA-N
XLogP0.78
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine (CID 66276689) is 3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine is CN(CCC(F)(F)F)c1n[nH]c(N)n1.
What is the InChIKey of 3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is HHXINRQDBBFGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5/c1-14(3-2-6(7,8)9)5-11-4(10)12-13-5/h2-3H2,1H3,(H3,10,11,12,13).
What are the key properties of 3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 209.17 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66276689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).