4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one

C8H14N4O4 — CID 70895009

IUPAC4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one
SMILESNc1ncn([C@H](CCO)OCCO)c(=O)n1
InChIInChI=1S/C8H14N4O4/c9-7-10-5-12(8(15)11-7)6(1-2-13)16-4-3-14/h5-6,13-14H,1-4H2,(H2,9,11,15)/t6-/m0/s1
InChIKeyLKLDQHUCBBOGDD-LURJTMIESA-N
MW230.22 g/mol
LogP-1.89
Rot. Bonds6

About 4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one

4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one (PubChem CID 70895009) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one
PubChem CID70895009
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one
SMILESNc1ncn([C@H](CCO)OCCO)c(=O)n1
InChIInChI=1S/C8H14N4O4/c9-7-10-5-12(8(15)11-7)6(1-2-13)16-4-3-14/h5-6,13-14H,1-4H2,(H2,9,11,15)/t6-/m0/s1
InChIKeyLKLDQHUCBBOGDD-LURJTMIESA-N
XLogP-1.89
TPSA123.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one (CID 70895009) is 4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one is Nc1ncn([C@H](CCO)OCCO)c(=O)n1.
What is the InChIKey of 4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one?
The InChIKey is LKLDQHUCBBOGDD-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N4O4/c9-7-10-5-12(8(15)11-7)6(1-2-13)16-4-3-14/h5-6,13-14H,1-4H2,(H2,9,11,15)/t6-/m0/s1.
What are the key properties of 4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one?
4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one has a molecular weight of 230.22 g/mol, XLogP of -1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1S)-3-hydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 70895009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).