5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine

C17H19N5O — CID 112947425

IUPAC5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1cccc(C)c1Nc1cnnc(NCc2ccco2)n1
InChIInChI=1S/C17H19N5O/c1-3-13-7-4-6-12(2)16(13)20-15-11-19-22-17(21-15)18-10-14-8-5-9-23-14/h4-9,11H,3,10H2,1-2H3,(H2,18,20,21,22)
InChIKeyHPCCZXMDWBPHDD-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.69
Rot. Bonds6

About 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine

5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112947425) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112947425
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1cccc(C)c1Nc1cnnc(NCc2ccco2)n1
InChIInChI=1S/C17H19N5O/c1-3-13-7-4-6-12(2)16(13)20-15-11-19-22-17(21-15)18-10-14-8-5-9-23-14/h4-9,11H,3,10H2,1-2H3,(H2,18,20,21,22)
InChIKeyHPCCZXMDWBPHDD-UHFFFAOYSA-N
XLogP3.69
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(furan-2-ylmethyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947428
4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871395
3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947412
3-N-(3,5-dimethylphenyl)-5-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963563
5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947236
5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945329
3-N-(2-ethyl-6-methylphenyl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961752
5-N-(2-ethyl-6-methylphenyl)-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953814
N-[4-[[3-(furan-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112947465
3-N-(2,4-dimethylphenyl)-5-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963044
3-N-(2-ethyl-6-methylphenyl)-5-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964152
5-N-(4-ethoxyphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947452

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine (CID 112947425) is 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine is CCc1cccc(C)c1Nc1cnnc(NCc2ccco2)n1.
What is the InChIKey of 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is HPCCZXMDWBPHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-13-7-4-6-12(2)16(13)20-15-11-19-22-17(21-15)18-10-14-8-5-9-23-14/h4-9,11H,3,10H2,1-2H3,(H2,18,20,21,22).
What are the key properties of 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 309.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112947425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).