2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid

C10H13N5O4 — CID 106897218

IUPAC2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCc1cccnn1
InChIInChI=1S/C10H13N5O4/c16-8(11-6-9(17)18)5-13-10(19)12-4-7-2-1-3-14-15-7/h1-3H,4-6H2,(H,11,16)(H,17,18)(H2,12,13,19)
InChIKeyXPOSFPLZJFOBQD-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.52
Rot. Bonds6

About 2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 106897218) has the molecular formula C10H13N5O4 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID106897218
Molecular FormulaC10H13N5O4
Molecular Weight267.24 g/mol
Exact Mass267.10
IUPAC Name2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCc1cccnn1
InChIInChI=1S/C10H13N5O4/c16-8(11-6-9(17)18)5-13-10(19)12-4-7-2-1-3-14-15-7/h1-3H,4-6H2,(H,11,16)(H,17,18)(H2,12,13,19)
InChIKeyXPOSFPLZJFOBQD-UHFFFAOYSA-N
XLogP-1.52
TPSA133.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106897054
3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897084
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
(2S)-2-(pyridazin-3-ylmethylcarbamoylamino)butanedioic acid
CID 106897236
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896058
2-[(pyridazin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 106897275
3-[(pyridazin-3-ylmethylcarbamoylamino)methyl]benzoic acid
CID 106897201
2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896069

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid (CID 106897218) is 2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)NCc1cccnn1.
What is the InChIKey of 2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is XPOSFPLZJFOBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c16-8(11-6-9(17)18)5-13-10(19)12-4-7-2-1-3-14-15-7/h1-3H,4-6H2,(H,11,16)(H,17,18)(H2,12,13,19).
What are the key properties of 2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 267.24 g/mol, XLogP of -1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 106897218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).