6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione

C8H14N4O3 — CID 107302476

IUPAC6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCCCCO)c(=O)[nH]1
InChIInChI=1S/C8H14N4O3/c13-5-3-1-2-4-9-6-7(14)10-8(15)12-11-6/h13H,1-5H2,(H,9,11)(H2,10,12,14,15)
InChIKeyFWSZYAHWXZNQKI-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.97
Rot. Bonds6

About 6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione

6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 107302476) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID107302476
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCCCCO)c(=O)[nH]1
InChIInChI=1S/C8H14N4O3/c13-5-3-1-2-4-9-6-7(14)10-8(15)12-11-6/h13H,1-5H2,(H,9,11)(H2,10,12,14,15)
InChIKeyFWSZYAHWXZNQKI-UHFFFAOYSA-N
XLogP-0.97
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 43410687
6-(3-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410708
6-[3-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 60723279
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 61409590
6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63239466
5-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]pentanoic acid
CID 64059940
6-(3-hydroxybutylamino)-2H-1,2,4-triazine-3,5-dione
CID 64202505
6-[(3-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 66004840
6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 66106889
6-(4-hydroxybutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 78997313
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

Frequently Asked Questions

What is the IUPAC name of 6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione (CID 107302476) is 6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCCCCCO)c(=O)[nH]1.
What is the InChIKey of 6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is FWSZYAHWXZNQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c13-5-3-1-2-4-9-6-7(14)10-8(15)12-11-6/h13H,1-5H2,(H,9,11)(H2,10,12,14,15).
What are the key properties of 6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione?
6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 214.22 g/mol, XLogP of -0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 107302476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).