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

C8H14N4O3 — CID 107269192

IUPAC6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(O)CCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O3/c1-5(13)3-2-4-9-6-7(14)10-8(15)12-11-6/h5,13H,2-4H2,1H3,(H,9,11)(H2,10,12,14,15)
InChIKeyLCVIXQVJTKDNEF-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.97
Rot. Bonds5

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

6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 107269192) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID107269192
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(O)CCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O3/c1-5(13)3-2-4-9-6-7(14)10-8(15)12-11-6/h5,13H,2-4H2,1H3,(H,9,11)(H2,10,12,14,15)
InChIKeyLCVIXQVJTKDNEF-UHFFFAOYSA-N
XLogP-0.97
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
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

4-Heptyl-6-(4-hydroxybutylamino)-2-methyl-1,2,4-triazine-3,5-dione
CID 68809959
6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 43410687
6-(1-hydroxybutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410702
6-(3-hydroxypropylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410708
6-(pentylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410716
6-[(2-Hydroxypropyl)amino]-1,2,4-triazine-3,5(2H,4H)-dione
CID 43424211
6-(4-hydroxypiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
CID 60674923
6-(3-hydroxypiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
CID 60723289
6-(4-methoxybutylamino)-2H-1,2,4-triazine-3,5-dione
CID 60965118
6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61360991
6-[(2-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 62359068
6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63239466

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione (CID 107269192) is 6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione is CC(O)CCCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is LCVIXQVJTKDNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-5(13)3-2-4-9-6-7(14)10-8(15)12-11-6/h5,13H,2-4H2,1H3,(H,9,11)(H2,10,12,14,15).
What are the key properties of 6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione?
6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 214.22 g/mol, XLogP of -0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 107269192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).