hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium

C9H14N4O4P+ — CID 151465670

IUPAChydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium
SMILESO=[P+](O)OC1(CO)CCC(Nc2ncncn2)C1
InChIInChI=1S/C9H13N4O4P/c14-4-9(17-18(15)16)2-1-7(3-9)13-8-11-5-10-6-12-8/h5-7,14H,1-4H2,(H-,10,11,12,13,15,16)/p+1
InChIKeyAWSPHSQEQSWBMF-UHFFFAOYSA-O
MW273.21 g/mol
LogP0.23
Rot. Bonds5

About hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium

hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium (PubChem CID 151465670) has the molecular formula C9H14N4O4P+ and a molecular weight of 273.21 g/mol. Its IUPAC name is hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium
PubChem CID151465670
Molecular FormulaC9H14N4O4P+
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Namehydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium
SMILESO=[P+](O)OC1(CO)CCC(Nc2ncncn2)C1
InChIInChI=1S/C9H13N4O4P/c14-4-9(17-18(15)16)2-1-7(3-9)13-8-11-5-10-6-12-8/h5-7,14H,1-4H2,(H-,10,11,12,13,15,16)/p+1
InChIKeyAWSPHSQEQSWBMF-UHFFFAOYSA-O
XLogP0.23
TPSA117.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium?
The IUPAC name of hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium (CID 151465670) is hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium.
What is the SMILES notation for hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium?
The canonical SMILES for hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium is O=[P+](O)OC1(CO)CCC(Nc2ncncn2)C1.
What is the InChIKey of hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium?
The InChIKey is AWSPHSQEQSWBMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N4O4P/c14-4-9(17-18(15)16)2-1-7(3-9)13-8-11-5-10-6-12-8/h5-7,14H,1-4H2,(H-,10,11,12,13,15,16)/p+1.
What are the key properties of hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium?
hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium has a molecular weight of 273.21 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium is sourced from PubChem (CID 151465670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).