2-(3,3,3-trifluoropropyl)triazol-4-amine

C5H7F3N4 — CID 165472886

IUPAC2-(3,3,3-trifluoropropyl)triazol-4-amine
SMILESNc1cnn(CCC(F)(F)F)n1
InChIInChI=1S/C5H7F3N4/c6-5(7,8)1-2-12-10-3-4(9)11-12/h3H,1-2H2,(H2,9,11)
InChIKeyJFOGFGMFDNEZBH-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.81
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)triazol-4-amine

2-(3,3,3-trifluoropropyl)triazol-4-amine (PubChem CID 165472886) has the molecular formula C5H7F3N4 and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)triazol-4-amine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)triazol-4-amine
PubChem CID165472886
Molecular FormulaC5H7F3N4
Molecular Weight180.13 g/mol
Exact Mass180.06
IUPAC Name2-(3,3,3-trifluoropropyl)triazol-4-amine
SMILESNc1cnn(CCC(F)(F)F)n1
InChIInChI=1S/C5H7F3N4/c6-5(7,8)1-2-12-10-3-4(9)11-12/h3H,1-2H2,(H2,9,11)
InChIKeyJFOGFGMFDNEZBH-UHFFFAOYSA-N
XLogP0.81
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-difluoropropyl)triazol-4-amine
CID 84651323
2-(2,2-difluoroethyl)triazol-4-amine
CID 146075351
2-heptyltriazol-4-amine
CID 165480790
1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol
CID 165463377
6-(4-aminotriazol-2-yl)hexan-2-one
CID 67367591
2-(3-propan-2-yloxypropyl)triazol-4-amine
CID 165480310
4-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]aniline
CID 64554836
2-(2-methylprop-2-enyl)triazol-4-amine
CID 165463371
2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine
CID 165471904
2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine
CID 165479364
2-[(5-chloro-1-methylpyrazol-3-yl)methyl]triazol-4-amine
CID 165480312
2-methyltriazol-4-amine;hydrobromide
CID 91828094

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)triazol-4-amine?
The IUPAC name of 2-(3,3,3-trifluoropropyl)triazol-4-amine (CID 165472886) is 2-(3,3,3-trifluoropropyl)triazol-4-amine.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)triazol-4-amine?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)triazol-4-amine is Nc1cnn(CCC(F)(F)F)n1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)triazol-4-amine?
The InChIKey is JFOGFGMFDNEZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4/c6-5(7,8)1-2-12-10-3-4(9)11-12/h3H,1-2H2,(H2,9,11).
What are the key properties of 2-(3,3,3-trifluoropropyl)triazol-4-amine?
2-(3,3,3-trifluoropropyl)triazol-4-amine has a molecular weight of 180.13 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)triazol-4-amine is sourced from PubChem (CID 165472886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).