6-(difluoromethyl)-1,3,5-triazine-2,4-diamine

C4H5F2N5 — CID 44725305

IUPAC6-(difluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C(F)F)n1
InChIInChI=1S/C4H5F2N5/c5-1(6)2-9-3(7)11-4(8)10-2/h1H,(H4,7,8,9,10,11)
InChIKeyUICKOYROZKYGSJ-UHFFFAOYSA-N
MW161.12 g/mol
LogP-0.03
Rot. Bonds1

About 6-(difluoromethyl)-1,3,5-triazine-2,4-diamine

6-(difluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 44725305) has the molecular formula C4H5F2N5 and a molecular weight of 161.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(difluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID44725305
Molecular FormulaC4H5F2N5
Molecular Weight161.12 g/mol
Exact Mass161.05
IUPAC Name6-(difluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C(F)F)n1
InChIInChI=1S/C4H5F2N5/c5-1(6)2-9-3(7)11-4(8)10-2/h1H,(H4,7,8,9,10,11)
InChIKeyUICKOYROZKYGSJ-UHFFFAOYSA-N
XLogP-0.03
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.12
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(difluoromethyl)-1,3,5-triazine-2,4-diamine (CID 44725305) is 6-(difluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(difluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(difluoromethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UICKOYROZKYGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N5/c5-1(6)2-9-3(7)11-4(8)10-2/h1H,(H4,7,8,9,10,11).
What are the key properties of 6-(difluoromethyl)-1,3,5-triazine-2,4-diamine?
6-(difluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 161.12 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 44725305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).