methyl 3-(pyridazin-3-ylamino)propanoate

C8H11N3O2 — CID 62482435

IUPACmethyl 3-(pyridazin-3-ylamino)propanoate
SMILESCOC(=O)CCNc1cccnn1
InChIInChI=1S/C8H11N3O2/c1-13-8(12)4-6-9-7-3-2-5-10-11-7/h2-3,5H,4,6H2,1H3,(H,9,11)
InChIKeyPVDPAGGNXCZZQS-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.45
Rot. Bonds4

About methyl 3-(pyridazin-3-ylamino)propanoate

methyl 3-(pyridazin-3-ylamino)propanoate (PubChem CID 62482435) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is methyl 3-(pyridazin-3-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(pyridazin-3-ylamino)propanoate
PubChem CID62482435
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Namemethyl 3-(pyridazin-3-ylamino)propanoate
SMILESCOC(=O)CCNc1cccnn1
InChIInChI=1S/C8H11N3O2/c1-13-8(12)4-6-9-7-3-2-5-10-11-7/h2-3,5H,4,6H2,1H3,(H,9,11)
InChIKeyPVDPAGGNXCZZQS-UHFFFAOYSA-N
XLogP0.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 113243711
1-morpholin-4-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 112695183
methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
CID 80510253
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
CID 63591109
N,N-dimethyl-2-(pyridazin-3-ylamino)acetamide
CID 62482830
methyl 3-(quinolin-2-ylamino)propanoate
CID 60632060
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632
2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate
CID 71973059
methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 82316641
2-[2-(pyridazin-3-ylamino)ethyl]guanidine
CID 130785372
methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate
CID 114998596
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439

Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyridazin-3-ylamino)propanoate?
The IUPAC name of methyl 3-(pyridazin-3-ylamino)propanoate (CID 62482435) is methyl 3-(pyridazin-3-ylamino)propanoate.
What is the SMILES notation for methyl 3-(pyridazin-3-ylamino)propanoate?
The canonical SMILES for methyl 3-(pyridazin-3-ylamino)propanoate is COC(=O)CCNc1cccnn1.
What is the InChIKey of methyl 3-(pyridazin-3-ylamino)propanoate?
The InChIKey is PVDPAGGNXCZZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-8(12)4-6-9-7-3-2-5-10-11-7/h2-3,5H,4,6H2,1H3,(H,9,11).
What are the key properties of methyl 3-(pyridazin-3-ylamino)propanoate?
methyl 3-(pyridazin-3-ylamino)propanoate has a molecular weight of 181.20 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(pyridazin-3-ylamino)propanoate is sourced from PubChem (CID 62482435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).