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

C7H12N4O3 — CID 61360991

IUPAC6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(CO)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O3/c1-4(3-12)2-8-5-6(13)9-7(14)11-10-5/h4,12H,2-3H2,1H3,(H,8,10)(H2,9,11,13,14)
InChIKeyIDOIWXYMSGVUJG-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.50
Rot. Bonds4

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

6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 61360991) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID61360991
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(CO)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O3/c1-4(3-12)2-8-5-6(13)9-7(14)11-10-5/h4,12H,2-3H2,1H3,(H,8,10)(H2,9,11,13,14)
InChIKeyIDOIWXYMSGVUJG-UHFFFAOYSA-N
XLogP-1.50
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 61360991) is 6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione is CC(CO)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is IDOIWXYMSGVUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-4(3-12)2-8-5-6(13)9-7(14)11-10-5/h4,12H,2-3H2,1H3,(H,8,10)(H2,9,11,13,14).
What are the key properties of 6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 200.20 g/mol, XLogP of -1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61360991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).