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

C15H15N5O — CID 112947412

IUPAC3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(Nc2cnnc(NCc3ccco3)n2)cc1
InChIInChI=1S/C15H15N5O/c1-11-4-6-12(7-5-11)18-14-10-17-20-15(19-14)16-9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H2,16,18,19,20)
InChIKeyPEGXUEPUSCQFJM-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.13
Rot. Bonds5

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

3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112947412) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112947412
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(Nc2cnnc(NCc3ccco3)n2)cc1
InChIInChI=1S/C15H15N5O/c1-11-4-6-12(7-5-11)18-14-10-17-20-15(19-14)16-9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H2,16,18,19,20)
InChIKeyPEGXUEPUSCQFJM-UHFFFAOYSA-N
XLogP3.13
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[3-(furan-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112947465
5-N-(4-ethoxyphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947452
3-N-(furan-2-ylmethyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947428
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112915354
5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947481
5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947425
3-N-(furan-2-ylmethyl)-5-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112947460
5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947236
5-N-(4-ethylphenyl)-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948780
3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112947490
5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947351
5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112947185

Frequently Asked Questions

What is the IUPAC name of 3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 112947412) is 3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine is Cc1ccc(Nc2cnnc(NCc3ccco3)n2)cc1.
What is the InChIKey of 3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is PEGXUEPUSCQFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-4-6-12(7-5-11)18-14-10-17-20-15(19-14)16-9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H2,16,18,19,20).
What are the key properties of 3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 281.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112947412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).