6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine

C9H9F2N5 — CID 66895741

IUPAC6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2=CC=CC(F)(F)C2)n1
InChIInChI=1S/C9H9F2N5/c10-9(11)3-1-2-5(4-9)6-14-7(12)16-8(13)15-6/h1-3H,4H2,(H4,12,13,14,15,16)
InChIKeyLCCVTOHNGVXVMB-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.01
Rot. Bonds1

About 6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine

6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 66895741) has the molecular formula C9H9F2N5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID66895741
Molecular FormulaC9H9F2N5
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC Name6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2=CC=CC(F)(F)C2)n1
InChIInChI=1S/C9H9F2N5/c10-9(11)3-1-2-5(4-9)6-14-7(12)16-8(13)15-6/h1-3H,4H2,(H4,12,13,14,15,16)
InChIKeyLCCVTOHNGVXVMB-UHFFFAOYSA-N
XLogP1.01
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine (CID 66895741) is 6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2=CC=CC(F)(F)C2)n1.
What is the InChIKey of 6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LCCVTOHNGVXVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5/c10-9(11)3-1-2-5(4-9)6-14-7(12)16-8(13)15-6/h1-3H,4H2,(H4,12,13,14,15,16).
What are the key properties of 6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine?
6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 225.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66895741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).