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

C16H17N5O — CID 112947185

IUPAC5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESc1ccc(CCNc2nncc(NCc3ccco3)n2)cc1
InChIInChI=1S/C16H17N5O/c1-2-5-13(6-3-1)8-9-17-16-20-15(12-19-21-16)18-11-14-7-4-10-22-14/h1-7,10,12H,8-9,11H2,(H2,17,18,20,21)
InChIKeyTWSFPRGZXJZWLH-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.73
Rot. Bonds7

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

5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112947185) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112947185
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESc1ccc(CCNc2nncc(NCc3ccco3)n2)cc1
InChIInChI=1S/C16H17N5O/c1-2-5-13(6-3-1)8-9-17-16-20-15(12-19-21-16)18-11-14-7-4-10-22-14/h1-7,10,12H,8-9,11H2,(H2,17,18,20,21)
InChIKeyTWSFPRGZXJZWLH-UHFFFAOYSA-N
XLogP2.73
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952784
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112915130
5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947351
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952800
5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947236
3-N-(2-methoxyethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112943506
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112915161
3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938729
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952828
5-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112947274
3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947412
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273

Frequently Asked Questions

What is the IUPAC name of 5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine (CID 112947185) is 5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine is c1ccc(CCNc2nncc(NCc3ccco3)n2)cc1.
What is the InChIKey of 5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is TWSFPRGZXJZWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-5-13(6-3-1)8-9-17-16-20-15(12-19-21-16)18-11-14-7-4-10-22-14/h1-7,10,12H,8-9,11H2,(H2,17,18,20,21).
What are the key properties of 5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 295.35 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112947185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).