1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine

C6H7F3N4 — CID 131015384

IUPAC1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine
SMILESNc1ncn(C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C6H7F3N4/c7-6(8,9)5(1-2-5)13-3-11-4(10)12-13/h3H,1-2H2,(H2,10,12)
InChIKeyFFRBCKLCUDCDHY-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.91
Rot. Bonds1

About 1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine

1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine (PubChem CID 131015384) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine
PubChem CID131015384
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC Name1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine
SMILESNc1ncn(C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C6H7F3N4/c7-6(8,9)5(1-2-5)13-3-11-4(10)12-13/h3H,1-2H2,(H2,10,12)
InChIKeyFFRBCKLCUDCDHY-UHFFFAOYSA-N
XLogP0.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine (CID 131015384) is 1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine is Nc1ncn(C2(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine?
The InChIKey is FFRBCKLCUDCDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4/c7-6(8,9)5(1-2-5)13-3-11-4(10)12-13/h3H,1-2H2,(H2,10,12).
What are the key properties of 1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine?
1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine has a molecular weight of 192.14 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 131015384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).