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

C17H19N5O — CID 112947337

IUPAC3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCN(c1cccc(C)c1)c1nncc(NCc2ccco2)n1
InChIInChI=1S/C17H19N5O/c1-3-22(14-7-4-6-13(2)10-14)17-20-16(12-19-21-17)18-11-15-8-5-9-23-15/h4-10,12H,3,11H2,1-2H3,(H,18,20,21)
InChIKeyPISQWGREWNDCIA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.54
Rot. Bonds6

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

3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112947337) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112947337
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCN(c1cccc(C)c1)c1nncc(NCc2ccco2)n1
InChIInChI=1S/C17H19N5O/c1-3-22(14-7-4-6-13(2)10-14)17-20-16(12-19-21-17)18-11-15-8-5-9-23-15/h4-10,12H,3,11H2,1-2H3,(H,18,20,21)
InChIKeyPISQWGREWNDCIA-UHFFFAOYSA-N
XLogP3.54
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-ethyl-5-N-[(2-fluorophenyl)methyl]-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112949694
3-N-ethyl-5-N-[2-(4-methoxyphenoxy)ethyl]-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112958727
5-N-(3,4-dichlorophenyl)-3-N-ethyl-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969527
3-N-ethyl-3-N-(3-methylphenyl)-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964823
5-N-(furan-2-ylmethyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112947192
N-[4-[[3-(N-ethyl-3-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968572
5-N-(4-bromo-3-methylphenyl)-3-N-ethyl-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969224
3-[[3-(N-ethyl-3-methylanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112969697
3-N-ethyl-3-N-(3-methylphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967888
3-N-(furan-2-ylmethyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947428
4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858629
5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947236

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 112947337) is 3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine is CCN(c1cccc(C)c1)c1nncc(NCc2ccco2)n1.
What is the InChIKey of 3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is PISQWGREWNDCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-22(14-7-4-6-13(2)10-14)17-20-16(12-19-21-17)18-11-15-8-5-9-23-15/h4-10,12H,3,11H2,1-2H3,(H,18,20,21).
What are the key properties of 3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 309.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112947337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).