chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine

C7H11ClN4O2 — CID 69090381

IUPACchloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine
SMILESCNC.Nc1ccnnc1C(=O)OCl
InChIInChI=1S/C5H4ClN3O2.C2H7N/c6-11-5(10)4-3(7)1-2-8-9-4;1-3-2/h1-2H,(H2,7,8);3H,1-2H3
InChIKeyULQQPRFMFCCFEZ-UHFFFAOYSA-N
MW218.64 g/mol
LogP0.20
Rot. Bonds1

About chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine

chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine (PubChem CID 69090381) has the molecular formula C7H11ClN4O2 and a molecular weight of 218.64 g/mol. Its IUPAC name is chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine.

Molecular Properties

Compound Namechloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine
PubChem CID69090381
Molecular FormulaC7H11ClN4O2
Molecular Weight218.64 g/mol
Exact Mass218.06
IUPAC Namechloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine
SMILESCNC.Nc1ccnnc1C(=O)OCl
InChIInChI=1S/C5H4ClN3O2.C2H7N/c6-11-5(10)4-3(7)1-2-8-9-4;1-3-2/h1-2H,(H2,7,8);3H,1-2H3
InChIKeyULQQPRFMFCCFEZ-UHFFFAOYSA-N
XLogP0.20
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine?
The IUPAC name of chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine (CID 69090381) is chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine.
What is the SMILES notation for chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine?
The canonical SMILES for chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine is CNC.Nc1ccnnc1C(=O)OCl.
What is the InChIKey of chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine?
The InChIKey is ULQQPRFMFCCFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2.C2H7N/c6-11-5(10)4-3(7)1-2-8-9-4;1-3-2/h1-2H,(H2,7,8);3H,1-2H3.
What are the key properties of chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine?
chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine has a molecular weight of 218.64 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine is sourced from PubChem (CID 69090381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).