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

C9H16N4O3 — CID 107203544

IUPAC6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(CCCCCO)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O3/c1-13(5-3-2-4-6-14)7-8(15)10-9(16)12-11-7/h14H,2-6H2,1H3,(H2,10,12,15,16)
InChIKeyZAEWYBRYPLGHHC-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.94
Rot. Bonds6

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

6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 107203544) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID107203544
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(CCCCCO)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O3/c1-13(5-3-2-4-6-14)7-8(15)10-9(16)12-11-7/h14H,2-6H2,1H3,(H2,10,12,15,16)
InChIKeyZAEWYBRYPLGHHC-UHFFFAOYSA-N
XLogP-0.94
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 54998910
6-[3-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 60723279
6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61145738
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 61409590
6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61425425
6-[butyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61448488
6-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65997176
6-(5-hydroxypentan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 80295162
6-[(2-ethyl-4-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 80296871
6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 102787041
6-[(5-Hydroxy-4-methylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103858490
6-[(5-hydroxy-4-methylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103858533

Frequently Asked Questions

What is the IUPAC name of 6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 107203544) is 6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione is CN(CCCCCO)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ZAEWYBRYPLGHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-13(5-3-2-4-6-14)7-8(15)10-9(16)12-11-7/h14H,2-6H2,1H3,(H2,10,12,15,16).
What are the key properties of 6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 228.25 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-hydroxypentyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 107203544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).