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

C9H17N5O2 — CID 63760136

IUPAC6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(N)CN(C)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H17N5O2/c1-6(10)5-12(2)7-8(15)13(3)9(16)14(4)11-7/h6H,5,10H2,1-4H3
InChIKeyDNXBHNOMHDIMTQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.74
Rot. Bonds3

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

6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 63760136) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID63760136
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(N)CN(C)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H17N5O2/c1-6(10)5-12(2)7-8(15)13(3)9(16)14(4)11-7/h6H,5,10H2,1-4H3
InChIKeyDNXBHNOMHDIMTQ-UHFFFAOYSA-N
XLogP-1.74
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 63760136) is 6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC(N)CN(C)c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is DNXBHNOMHDIMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-6(10)5-12(2)7-8(15)13(3)9(16)14(4)11-7/h6H,5,10H2,1-4H3.
What are the key properties of 6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 227.27 g/mol, XLogP of -1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63760136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).