2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid

C12H16N4O5 — CID 43465343

IUPAC2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1nn(C)c(=O)c(C(=O)NCC(=O)NCC(=O)O)c1C
InChIInChI=1S/C12H16N4O5/c1-6-7(2)15-16(3)12(21)10(6)11(20)14-4-8(17)13-5-9(18)19/h4-5H2,1-3H3,(H,13,17)(H,14,20)(H,18,19)
InChIKeyBTQFQCKFNOEFBF-UHFFFAOYSA-N
MW296.28 g/mol
LogP-1.67
Rot. Bonds5

About 2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 43465343) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID43465343
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1nn(C)c(=O)c(C(=O)NCC(=O)NCC(=O)O)c1C
InChIInChI=1S/C12H16N4O5/c1-6-7(2)15-16(3)12(21)10(6)11(20)14-4-8(17)13-5-9(18)19/h4-5H2,1-3H3,(H,13,17)(H,14,20)(H,18,19)
InChIKeyBTQFQCKFNOEFBF-UHFFFAOYSA-N
XLogP-1.67
TPSA130.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid (CID 43465343) is 2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid is Cc1nn(C)c(=O)c(C(=O)NCC(=O)NCC(=O)O)c1C.
What is the InChIKey of 2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is BTQFQCKFNOEFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5/c1-6-7(2)15-16(3)12(21)10(6)11(20)14-4-8(17)13-5-9(18)19/h4-5H2,1-3H3,(H,13,17)(H,14,20)(H,18,19).
What are the key properties of 2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 296.28 g/mol, XLogP of -1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).