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

C9H17N5O2 — CID 60754214

IUPAC6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(C)C(C)(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H17N5O2/c1-9(2,14(3)4)5-10-6-7(15)11-8(16)13-12-6/h5H2,1-4H3,(H,10,12)(H2,11,13,15,16)
InChIKeyFJRDHXHQUCLYRQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.79
Rot. Bonds4

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

6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 60754214) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID60754214
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(C)C(C)(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H17N5O2/c1-9(2,14(3)4)5-10-6-7(15)11-8(16)13-12-6/h5H2,1-4H3,(H,10,12)(H2,11,13,15,16)
InChIKeyFJRDHXHQUCLYRQ-UHFFFAOYSA-N
XLogP-0.79
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione (CID 60754214) is 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione is CN(C)C(C)(C)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is FJRDHXHQUCLYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-9(2,14(3)4)5-10-6-7(15)11-8(16)13-12-6/h5H2,1-4H3,(H,10,12)(H2,11,13,15,16).
What are the key properties of 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione?
6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 227.27 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60754214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).