3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine

C6H8F3N5 — CID 106215619

IUPAC3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NC2(C(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C6H8F3N5/c7-6(8,9)5(1-2-5)12-4-11-3(10)13-14-4/h1-2H2,(H4,10,11,12,13,14)
InChIKeyDHFOZSVIYDZVTO-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.89
Rot. Bonds2

About 3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 106215619) has the molecular formula C6H8F3N5 and a molecular weight of 207.16 g/mol. Its IUPAC name is 3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID106215619
Molecular FormulaC6H8F3N5
Molecular Weight207.16 g/mol
Exact Mass207.07
IUPAC Name3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NC2(C(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C6H8F3N5/c7-6(8,9)5(1-2-5)12-4-11-3(10)13-14-4/h1-2H2,(H4,10,11,12,13,14)
InChIKeyDHFOZSVIYDZVTO-UHFFFAOYSA-N
XLogP0.89
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine (CID 106215619) is 3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine is Nc1nc(NC2(C(F)(F)F)CC2)n[nH]1.
What is the InChIKey of 3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is DHFOZSVIYDZVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5/c7-6(8,9)5(1-2-5)12-4-11-3(10)13-14-4/h1-2H2,(H4,10,11,12,13,14).
What are the key properties of 3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 207.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 106215619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).