1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol

C11H22N6O6 — CID 139681291

IUPAC1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol
SMILESCOC(OC)C(O)NN(NC(O)C(OC)OC)c1ncncn1
InChIInChI=1S/C11H22N6O6/c1-20-9(21-2)7(18)15-17(11-13-5-12-6-14-11)16-8(19)10(22-3)23-4/h5-10,15-16,18-19H,1-4H3
InChIKeyMFJONNYANCPBIC-UHFFFAOYSA-N
MW334.33 g/mol
LogP-2.44
Rot. Bonds11

About 1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol

1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol (PubChem CID 139681291) has the molecular formula C11H22N6O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol.

Molecular Properties

Compound Name1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol
PubChem CID139681291
Molecular FormulaC11H22N6O6
Molecular Weight334.33 g/mol
Exact Mass334.16
IUPAC Name1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol
SMILESCOC(OC)C(O)NN(NC(O)C(OC)OC)c1ncncn1
InChIInChI=1S/C11H22N6O6/c1-20-9(21-2)7(18)15-17(11-13-5-12-6-14-11)16-8(19)10(22-3)23-4/h5-10,15-16,18-19H,1-4H3
InChIKeyMFJONNYANCPBIC-UHFFFAOYSA-N
XLogP-2.44
TPSA143.35 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.33
LogP ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol with MolForge

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Related Compounds

1-[[4,6-bis[(1-hydroxy-2,2-dimethoxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2,2-dimethoxyethanol
CID 22915577
N,N-bis(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine
CID 101336789
N-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 69160465
N-methyl-N-(1,3,5-triazin-2-yl)carbamoyl chloride
CID 87568764
N,N-diethyl-1,3,5-triazin-2-amine;hydrochloride
CID 162306515
ethyl(1,3,5-triazin-2-yl)carbamic acid
CID 69334189
2,2-dimethoxyethane-1,1-diol
CID 14146820
2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol
CID 82655096
(dimethyl-λ4-sulfanylidene)-dihydroxy-(1,3,5-triazin-2-yloxy)-λ5-phosphane
CID 88510217
1-(5-methoxy-2-pyridinyl)propan-2-ol
CID 83675700
methyl 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrimidine-5-carboxylate
CID 114214746
1-amino-1-(1,3,5-triazin-2-yl)ethanol
CID 89466824

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol?
The IUPAC name of 1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol (CID 139681291) is 1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol.
What is the SMILES notation for 1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol?
The canonical SMILES for 1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol is COC(OC)C(O)NN(NC(O)C(OC)OC)c1ncncn1.
What is the InChIKey of 1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol?
The InChIKey is MFJONNYANCPBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O6/c1-20-9(21-2)7(18)15-17(11-13-5-12-6-14-11)16-8(19)10(22-3)23-4/h5-10,15-16,18-19H,1-4H3.
What are the key properties of 1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol?
1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol has a molecular weight of 334.33 g/mol, XLogP of -2.44, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-hydroxy-2,2-dimethoxyethyl)amino]-2-(1,3,5-triazin-2-yl)hydrazinyl]-2,2-dimethoxyethanol is sourced from PubChem (CID 139681291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).