4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one

C14H13N5O3 — CID 135870752

IUPAC4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one
SMILESO=c1nc(NCc2ccco2)nc(Nc2ccc(O)cc2)[nH]1
InChIInChI=1S/C14H13N5O3/c20-10-5-3-9(4-6-10)16-13-17-12(18-14(21)19-13)15-8-11-2-1-7-22-11/h1-7,20H,8H2,(H3,15,16,17,18,19,21)
InChIKeyGROBBHKAKUXGAL-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.82
Rot. Bonds5

About 4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one

4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one (PubChem CID 135870752) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one
PubChem CID135870752
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one
SMILESO=c1nc(NCc2ccco2)nc(Nc2ccc(O)cc2)[nH]1
InChIInChI=1S/C14H13N5O3/c20-10-5-3-9(4-6-10)16-13-17-12(18-14(21)19-13)15-8-11-2-1-7-22-11/h1-7,20H,8H2,(H3,15,16,17,18,19,21)
InChIKeyGROBBHKAKUXGAL-UHFFFAOYSA-N
XLogP1.82
TPSA116.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one
CID 135433946
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226
4-[[4-(4-bromoanilino)-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol
CID 58039781
5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 78318898
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112915354
N-[4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112889223
2-N-(4-chlorophenyl)-6-N-(furan-2-ylmethyl)-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 3116177
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 694087
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 790413
N-[4-[[3-(furan-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112947465
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
methyl 4-[[2-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112889360

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one (CID 135870752) is 4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one is O=c1nc(NCc2ccco2)nc(Nc2ccc(O)cc2)[nH]1.
What is the InChIKey of 4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one?
The InChIKey is GROBBHKAKUXGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c20-10-5-3-9(4-6-10)16-13-17-12(18-14(21)19-13)15-8-11-2-1-7-22-11/h1-7,20H,8H2,(H3,15,16,17,18,19,21).
What are the key properties of 4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one?
4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one has a molecular weight of 299.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135870752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).