5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine

C6H10F3N5 — CID 130562096

IUPAC5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C(N)CC(F)(F)F)nc1N
InChIInChI=1S/C6H10F3N5/c1-14-5(11)12-4(13-14)3(10)2-6(7,8)9/h3H,2,10H2,1H3,(H2,11,12,13)
InChIKeyXSTVAUDHAIZCMK-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.35
Rot. Bonds2

About 5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine

5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 130562096) has the molecular formula C6H10F3N5 and a molecular weight of 209.17 g/mol. Its IUPAC name is 5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID130562096
Molecular FormulaC6H10F3N5
Molecular Weight209.17 g/mol
Exact Mass209.09
IUPAC Name5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C(N)CC(F)(F)F)nc1N
InChIInChI=1S/C6H10F3N5/c1-14-5(11)12-4(13-14)3(10)2-6(7,8)9/h3H,2,10H2,1H3,(H2,11,12,13)
InChIKeyXSTVAUDHAIZCMK-UHFFFAOYSA-N
XLogP0.35
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,2,4-triazol-3-amine
CID 103309486
5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine
CID 104902564
5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine
CID 104901915
4-[2-amino-2-(5-amino-1-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diol
CID 113432049
2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 12774391
(1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine
CID 130598930
2-methyl-5-tridecan-7-yl-1,2,4-triazol-3-amine
CID 170424488
2-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-amine
CID 103206966
1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine
CID 113404126
(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 104941052
3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112693223
(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 104941104

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine (CID 130562096) is 5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine is Cn1nc(C(N)CC(F)(F)F)nc1N.
What is the InChIKey of 5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is XSTVAUDHAIZCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5/c1-14-5(11)12-4(13-14)3(10)2-6(7,8)9/h3H,2,10H2,1H3,(H2,11,12,13).
What are the key properties of 5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine?
5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 209.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 130562096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).