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

C8H15N5O2 — CID 66107894

IUPAC6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(CCN)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H15N5O2/c1-5(2-3-9)4-10-6-7(14)11-8(15)13-12-6/h5H,2-4,9H2,1H3,(H,10,12)(H2,11,13,14,15)
InChIKeyWZEYEBYOXWVGJP-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.14
Rot. Bonds5

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

6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 66107894) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID66107894
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(CCN)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H15N5O2/c1-5(2-3-9)4-10-6-7(14)11-8(15)13-12-6/h5H,2-4,9H2,1H3,(H,10,12)(H2,11,13,14,15)
InChIKeyWZEYEBYOXWVGJP-UHFFFAOYSA-N
XLogP-1.14
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 66107894) is 6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is CC(CCN)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is WZEYEBYOXWVGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-5(2-3-9)4-10-6-7(14)11-8(15)13-12-6/h5H,2-4,9H2,1H3,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 213.24 g/mol, XLogP of -1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 66107894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).