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

C13H24N6O2 — CID 80903286

IUPAC[1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol
SMILESCC(C)Oc1nc(NN)nc(NC2(CO)CCCCC2)n1
InChIInChI=1S/C13H24N6O2/c1-9(2)21-12-16-10(15-11(17-12)19-14)18-13(8-20)6-4-3-5-7-13/h9,20H,3-8,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyVSJFFIAJVPQVQN-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.05
Rot. Bonds6

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

[1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol (PubChem CID 80903286) has the molecular formula C13H24N6O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol
PubChem CID80903286
Molecular FormulaC13H24N6O2
Molecular Weight296.37 g/mol
Exact Mass296.20
IUPAC Name[1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol
SMILESCC(C)Oc1nc(NN)nc(NC2(CO)CCCCC2)n1
InChIInChI=1S/C13H24N6O2/c1-9(2)21-12-16-10(15-11(17-12)19-14)18-13(8-20)6-4-3-5-7-13/h9,20H,3-8,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyVSJFFIAJVPQVQN-UHFFFAOYSA-N
XLogP1.05
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol (CID 80903286) is [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol is CC(C)Oc1nc(NN)nc(NC2(CO)CCCCC2)n1.
What is the InChIKey of [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol?
The InChIKey is VSJFFIAJVPQVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-9(2)21-12-16-10(15-11(17-12)19-14)18-13(8-20)6-4-3-5-7-13/h9,20H,3-8,14H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol?
[1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol has a molecular weight of 296.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 80903286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).