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

C10H19N5O2 — CID 106357816

IUPAC6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)(C)C(CCN)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H19N5O2/c1-10(2,3)6(4-5-11)12-7-8(16)13-9(17)15-14-7/h6H,4-5,11H2,1-3H3,(H,12,14)(H2,13,15,16,17)
InChIKeyUXLOPJWUHOXNGP-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.37
Rot. Bonds4

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

6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 106357816) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID106357816
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)(C)C(CCN)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H19N5O2/c1-10(2,3)6(4-5-11)12-7-8(16)13-9(17)15-14-7/h6H,4-5,11H2,1-3H3,(H,12,14)(H2,13,15,16,17)
InChIKeyUXLOPJWUHOXNGP-UHFFFAOYSA-N
XLogP-0.37
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 106357816) is 6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione is CC(C)(C)C(CCN)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is UXLOPJWUHOXNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-10(2,3)6(4-5-11)12-7-8(16)13-9(17)15-14-7/h6H,4-5,11H2,1-3H3,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 241.29 g/mol, XLogP of -0.37, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 106357816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).