2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol

C12H15N5O3 — CID 150722985

IUPAC2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol
SMILESCOc1nc(NNCc2ccccc2O)nc(OC)n1
InChIInChI=1S/C12H15N5O3/c1-19-11-14-10(15-12(16-11)20-2)17-13-7-8-5-3-4-6-9(8)18/h3-6,13,18H,7H2,1-2H3,(H,14,15,16,17)
InChIKeyJQFXRXUKJBPKCS-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.71
Rot. Bonds6

About 2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol

2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol (PubChem CID 150722985) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol
PubChem CID150722985
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol
SMILESCOc1nc(NNCc2ccccc2O)nc(OC)n1
InChIInChI=1S/C12H15N5O3/c1-19-11-14-10(15-12(16-11)20-2)17-13-7-8-5-3-4-6-9(8)18/h3-6,13,18H,7H2,1-2H3,(H,14,15,16,17)
InChIKeyJQFXRXUKJBPKCS-UHFFFAOYSA-N
XLogP0.71
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol?
The IUPAC name of 2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol (CID 150722985) is 2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol.
What is the SMILES notation for 2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol?
The canonical SMILES for 2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol is COc1nc(NNCc2ccccc2O)nc(OC)n1.
What is the InChIKey of 2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol?
The InChIKey is JQFXRXUKJBPKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-19-11-14-10(15-12(16-11)20-2)17-13-7-8-5-3-4-6-9(8)18/h3-6,13,18H,7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol?
2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol has a molecular weight of 277.28 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,6-dimethoxy-1,3,5-triazin-2-yl)hydrazinyl]methyl]phenol is sourced from PubChem (CID 150722985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).