2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid

C10H12ClN3O2 — CID 43656381

IUPAC2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN3O2/c11-8-3-4-9(13-12-8)14(6-10(15)16)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKeyCFUVAHHPUALAJJ-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.43
Rot. Bonds5

About 2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid

2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656381) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID43656381
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN3O2/c11-8-3-4-9(13-12-8)14(6-10(15)16)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKeyCFUVAHHPUALAJJ-UHFFFAOYSA-N
XLogP1.43
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid (CID 43656381) is 2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)c1ccc(Cl)nn1.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is CFUVAHHPUALAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-8-3-4-9(13-12-8)14(6-10(15)16)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,16).
What are the key properties of 2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid?
2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 241.68 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).