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

C13H24N6O2 — CID 115366569

IUPAC[1-[[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)Oc1nc(NN)nc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C13H24N6O2/c1-9(2)21-12-17-10(16-11(18-12)19-14)15-7-13(8-20)5-3-4-6-13/h9,20H,3-8,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyPLNAYUQRMVVXEF-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.91
Rot. Bonds7

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

[1-[[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 115366569) 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]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentyl]methanol
PubChem CID115366569
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]methyl]cyclopentyl]methanol
SMILESCC(C)Oc1nc(NN)nc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C13H24N6O2/c1-9(2)21-12-17-10(16-11(18-12)19-14)15-7-13(8-20)5-3-4-6-13/h9,20H,3-8,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyPLNAYUQRMVVXEF-UHFFFAOYSA-N
XLogP0.91
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.91
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]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentyl]methanol (CID 115366569) is [1-[[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentyl]methanol is CC(C)Oc1nc(NN)nc(NCC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is PLNAYUQRMVVXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-9(2)21-12-17-10(16-11(18-12)19-14)15-7-13(8-20)5-3-4-6-13/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]methyl]cyclopentyl]methanol?
[1-[[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 296.37 g/mol, XLogP of 0.91, 7 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]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115366569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).