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

C14H12FN5O — CID 112947481

IUPAC5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(Nc2cnnc(NCc3ccco3)n2)c1
InChIInChI=1S/C14H12FN5O/c15-10-3-1-4-11(7-10)18-13-9-17-20-14(19-13)16-8-12-5-2-6-21-12/h1-7,9H,8H2,(H2,16,18,19,20)
InChIKeyACCUDCOULHPZNR-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.96
Rot. Bonds5

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

5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112947481) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112947481
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(Nc2cnnc(NCc3ccco3)n2)c1
InChIInChI=1S/C14H12FN5O/c15-10-3-1-4-11(7-10)18-13-9-17-20-14(19-13)16-8-12-5-2-6-21-12/h1-7,9H,8H2,(H2,16,18,19,20)
InChIKeyACCUDCOULHPZNR-UHFFFAOYSA-N
XLogP2.96
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(furan-2-ylmethyl)-5-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112947460
3-N-benzyl-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112947826
3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947412
4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858686
5-N-(3-fluorophenyl)-3-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952121
N-[4-[[3-(furan-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112947465
3-[[5-(furan-2-ylmethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112947335
3-N-(furan-2-ylmethyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947428
5-N-(4-ethoxyphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947452
5-N-(3-fluorophenyl)-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950993
3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112947490
3-N-(4-tert-butylphenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965353

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine (CID 112947481) is 5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine is Fc1cccc(Nc2cnnc(NCc3ccco3)n2)c1.
What is the InChIKey of 5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is ACCUDCOULHPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c15-10-3-1-4-11(7-10)18-13-9-17-20-14(19-13)16-8-12-5-2-6-21-12/h1-7,9H,8H2,(H2,16,18,19,20).
What are the key properties of 5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 285.28 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112947481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).