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

C9H17N5O2 — CID 78954767

IUPAC6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(C)(C)N)c(=O)n(C)c1=O
InChIInChI=1S/C9H17N5O2/c1-9(2,10)5-11-6-7(15)13(3)8(16)14(4)12-6/h5,10H2,1-4H3,(H,11,12)
InChIKeyIOMFAWNXYLCDET-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.37
Rot. Bonds3

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

6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 78954767) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID78954767
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(C)(C)N)c(=O)n(C)c1=O
InChIInChI=1S/C9H17N5O2/c1-9(2,10)5-11-6-7(15)13(3)8(16)14(4)12-6/h5,10H2,1-4H3,(H,11,12)
InChIKeyIOMFAWNXYLCDET-UHFFFAOYSA-N
XLogP-1.37
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 78954767) is 6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC(C)(C)N)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is IOMFAWNXYLCDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-9(2,10)5-11-6-7(15)13(3)8(16)14(4)12-6/h5,10H2,1-4H3,(H,11,12).
What are the key properties of 6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 227.27 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 78954767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).