2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid

C11H19N5O2 — CID 107424723

IUPAC2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid
SMILESCc1nnc(N(CCN(C)C)CC(=O)O)nc1C
InChIInChI=1S/C11H19N5O2/c1-8-9(2)13-14-11(12-8)16(7-10(17)18)6-5-15(3)4/h5-7H2,1-4H3,(H,17,18)
InChIKeyBGBWODXSELPQLN-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.06
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid (PubChem CID 107424723) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid
PubChem CID107424723
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid
SMILESCc1nnc(N(CCN(C)C)CC(=O)O)nc1C
InChIInChI=1S/C11H19N5O2/c1-8-9(2)13-14-11(12-8)16(7-10(17)18)6-5-15(3)4/h5-7H2,1-4H3,(H,17,18)
InChIKeyBGBWODXSELPQLN-UHFFFAOYSA-N
XLogP-0.06
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid (CID 107424723) is 2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid is Cc1nnc(N(CCN(C)C)CC(=O)O)nc1C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid?
The InChIKey is BGBWODXSELPQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8-9(2)13-14-11(12-8)16(7-10(17)18)6-5-15(3)4/h5-7H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid has a molecular weight of 253.31 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid is sourced from PubChem (CID 107424723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).