2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine

C9H8FN5 — CID 2737693

IUPAC2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2cccc(F)c2)n1
InChIInChI=1S/C9H8FN5/c10-6-2-1-3-7(4-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChIKeyJKCGOWLLLHSYBN-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.34
Rot. Bonds2

About 2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine

2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2737693) has the molecular formula C9H8FN5 and a molecular weight of 205.20 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2737693
Molecular FormulaC9H8FN5
Molecular Weight205.20 g/mol
Exact Mass205.08
IUPAC Name2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2cccc(F)c2)n1
InChIInChI=1S/C9H8FN5/c10-6-2-1-3-7(4-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChIKeyJKCGOWLLLHSYBN-UHFFFAOYSA-N
XLogP1.34
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Chlorazanil
CID 10374
Amanozine
CID 10832
Melarsen oxide
CID 30830
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
2-N-(3-(trifluoromethyl)phenyl)-1,3,5-triazine-2,4-diamine
CID 704906
N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine
CID 9714
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908
N-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 2730248
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 790766
6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 840843

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 2737693) is 2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine is Nc1ncnc(Nc2cccc(F)c2)n1.
What is the InChIKey of 2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JKCGOWLLLHSYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5/c10-6-2-1-3-7(4-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15).
What are the key properties of 2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 205.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2737693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).