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

C15H15N5O — CID 112947236

IUPAC5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1Nc1nncc(NCc2ccco2)n1
InChIInChI=1S/C15H15N5O/c1-11-5-2-3-7-13(11)18-15-19-14(10-17-20-15)16-9-12-6-4-8-21-12/h2-8,10H,9H2,1H3,(H2,16,18,19,20)
InChIKeyDJJCVYBZOTWGRR-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.13
Rot. Bonds5

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

5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112947236) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112947236
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1Nc1nncc(NCc2ccco2)n1
InChIInChI=1S/C15H15N5O/c1-11-5-2-3-7-13(11)18-15-19-14(10-17-20-15)16-9-12-6-4-8-21-12/h2-8,10H,9H2,1H3,(H2,16,18,19,20)
InChIKeyDJJCVYBZOTWGRR-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

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-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947428
3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947412
5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947425
5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112947185
5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947351
3-[[5-(furan-2-ylmethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112947335
3-N-(2-methylphenyl)-5-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944420
3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112947490
5-N-benzyl-3-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947589
N-[4-[[3-(furan-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112947465
2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915200

Frequently Asked Questions

What is the IUPAC name of 5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 112947236) is 5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine is Cc1ccccc1Nc1nncc(NCc2ccco2)n1.
What is the InChIKey of 5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is DJJCVYBZOTWGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-5-2-3-7-13(11)18-15-19-14(10-17-20-15)16-9-12-6-4-8-21-12/h2-8,10H,9H2,1H3,(H2,16,18,19,20).
What are the key properties of 5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(furan-2-ylmethyl)-3-N-(2-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 5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112947236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).