[4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol

C12H22N6O3 — CID 106301508

IUPAC[4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol
SMILESCC(C)Oc1nc(NN)nc(NC2(CO)CCOCC2)n1
InChIInChI=1S/C12H22N6O3/c1-8(2)21-11-15-9(14-10(16-11)18-13)17-12(7-19)3-5-20-6-4-12/h8,19H,3-7,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeySQRIYJOVMWYCQI-UHFFFAOYSA-N
MW298.35 g/mol
LogP-0.10
Rot. Bonds6

About [4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol

[4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol (PubChem CID 106301508) has the molecular formula C12H22N6O3 and a molecular weight of 298.35 g/mol. Its IUPAC name is [4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol
PubChem CID106301508
Molecular FormulaC12H22N6O3
Molecular Weight298.35 g/mol
Exact Mass298.18
IUPAC Name[4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol
SMILESCC(C)Oc1nc(NN)nc(NC2(CO)CCOCC2)n1
InChIInChI=1S/C12H22N6O3/c1-8(2)21-11-15-9(14-10(16-11)18-13)17-12(7-19)3-5-20-6-4-12/h8,19H,3-7,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeySQRIYJOVMWYCQI-UHFFFAOYSA-N
XLogP-0.10
TPSA127.44 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[1-[(4-Hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol
CID 80903286
2-[(4-Hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80905772
2-[(4-Hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol
CID 80917470
2-[(4-Ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol
CID 80917626
2-[(4-Hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol
CID 80917698
2-[(4-Hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol
CID 80918089
[1-[(4-Hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol
CID 80919052
2-Ethyl-2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80919289
2-[(4-Ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
CID 80919371
2-Ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80919451
2-Ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80919687
2-[(4-Hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,3-diol
CID 81967486

Frequently Asked Questions

What is the IUPAC name of [4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol (CID 106301508) is [4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol is CC(C)Oc1nc(NN)nc(NC2(CO)CCOCC2)n1.
What is the InChIKey of [4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol?
The InChIKey is SQRIYJOVMWYCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O3/c1-8(2)21-11-15-9(14-10(16-11)18-13)17-12(7-19)3-5-20-6-4-12/h8,19H,3-7,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of [4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol?
[4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol has a molecular weight of 298.35 g/mol, XLogP of -0.10, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106301508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).