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

C9H17N5O2 — CID 63760373

IUPAC6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CC(CN)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H17N5O2/c1-5(2)3-6(4-10)11-7-8(15)12-9(16)14-13-7/h5-6H,3-4,10H2,1-2H3,(H,11,13)(H2,12,14,15,16)
InChIKeyQTQRGBLKQDGRAO-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.76
Rot. Bonds5

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

6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 63760373) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID63760373
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CC(CN)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H17N5O2/c1-5(2)3-6(4-10)11-7-8(15)12-9(16)14-13-7/h5-6H,3-4,10H2,1-2H3,(H,11,13)(H2,12,14,15,16)
InChIKeyQTQRGBLKQDGRAO-UHFFFAOYSA-N
XLogP-0.76
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.76
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-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 63760373) is 6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione is CC(C)CC(CN)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is QTQRGBLKQDGRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-5(2)3-6(4-10)11-7-8(15)12-9(16)14-13-7/h5-6H,3-4,10H2,1-2H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 227.27 g/mol, XLogP of -0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63760373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).