6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione

C8H15N5O3 — CID 63759056

IUPAC6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCOCC(N)CN(C)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H15N5O3/c1-13(3-5(9)4-16-2)6-7(14)10-8(15)12-11-6/h5H,3-4,9H2,1-2H3,(H2,10,12,14,15)
InChIKeyPRLTUOZABBLFTJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP-2.13
Rot. Bonds5

About 6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione

6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 63759056) has the molecular formula C8H15N5O3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID63759056
Molecular FormulaC8H15N5O3
Molecular Weight229.24 g/mol
Exact Mass229.12
IUPAC Name6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCOCC(N)CN(C)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H15N5O3/c1-13(3-5(9)4-16-2)6-7(14)10-8(15)12-11-6/h5H,3-4,9H2,1-2H3,(H2,10,12,14,15)
InChIKeyPRLTUOZABBLFTJ-UHFFFAOYSA-N
XLogP-2.13
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-2.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione (CID 63759056) is 6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione is COCC(N)CN(C)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is PRLTUOZABBLFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3/c1-13(3-5(9)4-16-2)6-7(14)10-8(15)12-11-6/h5H,3-4,9H2,1-2H3,(H2,10,12,14,15).
What are the key properties of 6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 229.24 g/mol, XLogP of -2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63759056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).