5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one

C14H25N6O5P — CID 135503747

IUPAC5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESCC(C)OP(=O)(CO[C@H](C)Cn1nnc2c(=O)[nH]c(N)nc21)OC(C)C
InChIInChI=1S/C14H25N6O5P/c1-8(2)24-26(22,25-9(3)4)7-23-10(5)6-20-12-11(18-19-20)13(21)17-14(15)16-12/h8-10H,6-7H2,1-5H3,(H3,15,16,17,21)/t10-/m1/s1
InChIKeyPJVIBNLXHUGSJK-SNVBAGLBSA-N
MW388.37 g/mol
LogP1.50
Rot. Bonds9

About 5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one

5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 135503747) has the molecular formula C14H25N6O5P and a molecular weight of 388.37 g/mol. Its IUPAC name is 5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one
PubChem CID135503747
Molecular FormulaC14H25N6O5P
Molecular Weight388.37 g/mol
Exact Mass388.16
IUPAC Name5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESCC(C)OP(=O)(CO[C@H](C)Cn1nnc2c(=O)[nH]c(N)nc21)OC(C)C
InChIInChI=1S/C14H25N6O5P/c1-8(2)24-26(22,25-9(3)4)7-23-10(5)6-20-12-11(18-19-20)13(21)17-14(15)16-12/h8-10H,6-7H2,1-5H3,(H3,15,16,17,21)/t10-/m1/s1
InChIKeyPJVIBNLXHUGSJK-SNVBAGLBSA-N
XLogP1.50
TPSA147.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one (CID 135503747) is 5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one is CC(C)OP(=O)(CO[C@H](C)Cn1nnc2c(=O)[nH]c(N)nc21)OC(C)C.
What is the InChIKey of 5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is PJVIBNLXHUGSJK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H25N6O5P/c1-8(2)24-26(22,25-9(3)4)7-23-10(5)6-20-12-11(18-19-20)13(21)17-14(15)16-12/h8-10H,6-7H2,1-5H3,(H3,15,16,17,21)/t10-/m1/s1.
What are the key properties of 5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one?
5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 388.37 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2R)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135503747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).