6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione

C6H10N4O2 — CID 164765848

IUPAC6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione
SMILESCC(C)n1nc(N)c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O2/c1-3(2)10-6(12)8-5(11)4(7)9-10/h3H,1-2H3,(H2,7,9)(H,8,11,12)
InChIKeyWBLUFIPVHKZKJQ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.91
Rot. Bonds1

About 6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione

6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione (PubChem CID 164765848) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione
PubChem CID164765848
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione
SMILESCC(C)n1nc(N)c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O2/c1-3(2)10-6(12)8-5(11)4(7)9-10/h3H,1-2H3,(H2,7,9)(H,8,11,12)
InChIKeyWBLUFIPVHKZKJQ-UHFFFAOYSA-N
XLogP-0.91
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-2-methyl-1,2,4-triazine-3,5-dione
CID 23262799
2-[(2R)-2-aminopropyl]-6-iodo-1,2,4-triazine-3,5-dione
CID 159267429
6-Amino-2-ethyl-1,2,4-triazine-3,5-dione
CID 167062699
2-(6-Methyl-3,5-dioxo-1,2,4-triazin-2-yl)acetamide
CID 168157824
2-(6-Methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide
CID 175403538
6-Isocyano-2-methyl-1,2,4-triazine-3,5-dione
CID 177289062
6-Amino-2-tert-butyl-1,2,4-triazine-3,5-dione
CID 178474551
2-Acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione
CID 23262884
2-Acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione
CID 23272640

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione (CID 164765848) is 6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione is CC(C)n1nc(N)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione?
The InChIKey is WBLUFIPVHKZKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3(2)10-6(12)8-5(11)4(7)9-10/h3H,1-2H3,(H2,7,9)(H,8,11,12).
What are the key properties of 6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione?
6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione has a molecular weight of 170.17 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-propan-2-yl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 164765848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).