[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol

C12H15N5O4 — CID 107745217

IUPAC[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol
SMILESCOc1nc(NN)nc(Oc2ccc(CO)cc2OC)n1
InChIInChI=1S/C12H15N5O4/c1-19-9-5-7(6-18)3-4-8(9)21-12-15-10(17-13)14-11(16-12)20-2/h3-5,18H,6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyTZSNVLDAXCHVAF-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.46
Rot. Bonds6

About [4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol

[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol (PubChem CID 107745217) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is [4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol
PubChem CID107745217
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol
SMILESCOc1nc(NN)nc(Oc2ccc(CO)cc2OC)n1
InChIInChI=1S/C12H15N5O4/c1-19-9-5-7(6-18)3-4-8(9)21-12-15-10(17-13)14-11(16-12)20-2/h3-5,18H,6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyTZSNVLDAXCHVAF-UHFFFAOYSA-N
XLogP0.46
TPSA124.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745258
[4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol
CID 107743997
[4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80916071
[4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909705
2-[4-(hydroxymethyl)-2-methoxyphenoxy]pyrimidine-4-carboxylic acid
CID 107744872
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-methylpyridine-4-carboxamide
CID 107743933
[4-[(6-hydrazinyl-2-pyridinyl)methoxy]-3-methoxyphenyl]methanol
CID 107744846
[4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915610
[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80917593
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol
CID 107745130
[4-(4-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80917858

Frequently Asked Questions

What is the IUPAC name of [4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol?
The IUPAC name of [4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol (CID 107745217) is [4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol is COc1nc(NN)nc(Oc2ccc(CO)cc2OC)n1.
What is the InChIKey of [4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol?
The InChIKey is TZSNVLDAXCHVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-19-9-5-7(6-18)3-4-8(9)21-12-15-10(17-13)14-11(16-12)20-2/h3-5,18H,6,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of [4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol?
[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol has a molecular weight of 293.28 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol is sourced from PubChem (CID 107745217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).