1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

C11H14N4O3 — CID 106897054

IUPAC1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCc1cccnn1)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H14N4O3/c16-9(17)11(3-4-11)7-13-10(18)12-6-8-2-1-5-14-15-8/h1-2,5H,3-4,6-7H2,(H,16,17)(H2,12,13,18)
InChIKeyIERUUHXQWBQWLN-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.14
Rot. Bonds5

About 1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 106897054) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID106897054
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCc1cccnn1)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H14N4O3/c16-9(17)11(3-4-11)7-13-10(18)12-6-8-2-1-5-14-15-8/h1-2,5H,3-4,6-7H2,(H,16,17)(H2,12,13,18)
InChIKeyIERUUHXQWBQWLN-UHFFFAOYSA-N
XLogP0.14
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694
2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106897218
3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897084
3-[(pyridazin-3-ylmethylcarbamoylamino)methyl]benzoic acid
CID 106897201
2-[(pyridazin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 106897275
(2S)-2-(pyridazin-3-ylmethylcarbamoylamino)butanedioic acid
CID 106897236
1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea
CID 122154804
1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451594
(2S)-3-methyl-2-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897193
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide
CID 106896257

Frequently Asked Questions

What is the IUPAC name of 1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (CID 106897054) is 1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is O=C(NCc1cccnn1)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is IERUUHXQWBQWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-9(17)11(3-4-11)7-13-10(18)12-6-8-2-1-5-14-15-8/h1-2,5H,3-4,6-7H2,(H,16,17)(H2,12,13,18).
What are the key properties of 1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106897054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).