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

C12H22N6O2 — CID 80919052

IUPAC[1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol
SMILESCC(C)Oc1nc(NN)nc(NC2(CO)CCCC2)n1
InChIInChI=1S/C12H22N6O2/c1-8(2)20-11-15-9(14-10(16-11)18-13)17-12(7-19)5-3-4-6-12/h8,19H,3-7,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyNPTUTDNKWUPIBF-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.66
Rot. Bonds6

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

[1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol (PubChem CID 80919052) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol
PubChem CID80919052
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name[1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol
SMILESCC(C)Oc1nc(NN)nc(NC2(CO)CCCC2)n1
InChIInChI=1S/C12H22N6O2/c1-8(2)20-11-15-9(14-10(16-11)18-13)17-12(7-19)5-3-4-6-12/h8,19H,3-7,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyNPTUTDNKWUPIBF-UHFFFAOYSA-N
XLogP0.66
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.66
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]cyclopentyl]methanol?
The IUPAC name of [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol (CID 80919052) is [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol is CC(C)Oc1nc(NN)nc(NC2(CO)CCCC2)n1.
What is the InChIKey of [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol?
The InChIKey is NPTUTDNKWUPIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-8(2)20-11-15-9(14-10(16-11)18-13)17-12(7-19)5-3-4-6-12/h8,19H,3-7,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of [1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol?
[1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol has a molecular weight of 282.35 g/mol, XLogP of 0.66, 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]cyclopentyl]methanol is sourced from PubChem (CID 80919052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).