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

C17H19N5O — CID 112947355

IUPAC5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
SMILESCCN(Cc1ccccc1)c1cnnc(NCc2ccco2)n1
InChIInChI=1S/C17H19N5O/c1-2-22(13-14-7-4-3-5-8-14)16-12-19-21-17(20-16)18-11-15-9-6-10-23-15/h3-10,12H,2,11,13H2,1H3,(H,18,20,21)
InChIKeyVBNOLZKYBDUMGW-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.10
Rot. Bonds7

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

5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112947355) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112947355
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
SMILESCCN(Cc1ccccc1)c1cnnc(NCc2ccco2)n1
InChIInChI=1S/C17H19N5O/c1-2-22(13-14-7-4-3-5-8-14)16-12-19-21-17(20-16)18-11-15-9-6-10-23-15/h3-10,12H,2,11,13H2,1H3,(H,18,20,21)
InChIKeyVBNOLZKYBDUMGW-UHFFFAOYSA-N
XLogP3.10
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112947736
5-N-butyl-3-N-(furan-2-ylmethyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112947400
5-N-benzyl-5-N-ethyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951598
5-N-benzyl-3-N-(4-bromophenyl)-5-N-ethyl-1,2,4-triazine-3,5-diamine
CID 112951632
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001296
5-N-benzyl-5-N-ethyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951614
5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112947185
1-[4-[[5-[benzyl(ethyl)amino]-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112951649
5-N-benzyl-5-N-ethyl-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112951674
5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 112947401
4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112889343
ethyl 4-[[5-[benzyl(ethyl)amino]-1,2,4-triazin-3-yl]amino]benzoate
CID 112951672

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine (CID 112947355) is 5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine is CCN(Cc1ccccc1)c1cnnc(NCc2ccco2)n1.
What is the InChIKey of 5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is VBNOLZKYBDUMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-22(13-14-7-4-3-5-8-14)16-12-19-21-17(20-16)18-11-15-9-6-10-23-15/h3-10,12H,2,11,13H2,1H3,(H,18,20,21).
What are the key properties of 5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 309.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112947355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).