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

C7H13N5O2 — CID 43410701

IUPAC6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(C)CCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O2/c1-12(2)4-3-8-5-6(13)9-7(14)11-10-5/h3-4H2,1-2H3,(H,8,10)(H2,9,11,13,14)
InChIKeyCOJQNBHOCXSFIB-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.57
Rot. Bonds4

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

6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410701) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID43410701
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(C)CCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O2/c1-12(2)4-3-8-5-6(13)9-7(14)11-10-5/h3-4H2,1-2H3,(H,8,10)(H2,9,11,13,14)
InChIKeyCOJQNBHOCXSFIB-UHFFFAOYSA-N
XLogP-1.57
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione (CID 43410701) is 6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione is CN(C)CCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is COJQNBHOCXSFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-12(2)4-3-8-5-6(13)9-7(14)11-10-5/h3-4H2,1-2H3,(H,8,10)(H2,9,11,13,14).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione?
6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 199.21 g/mol, XLogP of -1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).