1-(difluoromethyl)-1,2,4-triazole-3,5-diamine

C3H5F2N5 — CID 162716552

IUPAC1-(difluoromethyl)-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N)n(C(F)F)n1
InChIInChI=1S/C3H5F2N5/c4-1(5)10-3(7)8-2(6)9-10/h1H,(H4,6,7,8,9)
InChIKeyYBFIQCIBCKSHLR-UHFFFAOYSA-N
MW149.10 g/mol
LogP-0.16
Rot. Bonds1

About 1-(difluoromethyl)-1,2,4-triazole-3,5-diamine

1-(difluoromethyl)-1,2,4-triazole-3,5-diamine (PubChem CID 162716552) has the molecular formula C3H5F2N5 and a molecular weight of 149.10 g/mol. Its IUPAC name is 1-(difluoromethyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-(difluoromethyl)-1,2,4-triazole-3,5-diamine
PubChem CID162716552
Molecular FormulaC3H5F2N5
Molecular Weight149.10 g/mol
Exact Mass149.05
IUPAC Name1-(difluoromethyl)-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N)n(C(F)F)n1
InChIInChI=1S/C3H5F2N5/c4-1(5)10-3(7)8-2(6)9-10/h1H,(H4,6,7,8,9)
InChIKeyYBFIQCIBCKSHLR-UHFFFAOYSA-N
XLogP-0.16
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-(difluoromethyl)-1,2,4-triazole-3,5-diamine (CID 162716552) is 1-(difluoromethyl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-(difluoromethyl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-(difluoromethyl)-1,2,4-triazole-3,5-diamine is Nc1nc(N)n(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-1,2,4-triazole-3,5-diamine?
The InChIKey is YBFIQCIBCKSHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2N5/c4-1(5)10-3(7)8-2(6)9-10/h1H,(H4,6,7,8,9).
What are the key properties of 1-(difluoromethyl)-1,2,4-triazole-3,5-diamine?
1-(difluoromethyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 149.10 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 162716552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).