2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid

C10H10N4O2 — CID 80508464

IUPAC2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid
SMILESN#Cc1ccnnc1NC(C(=O)O)C1CC1
InChIInChI=1S/C10H10N4O2/c11-5-7-3-4-12-14-9(7)13-8(10(15)16)6-1-2-6/h3-4,6,8H,1-2H2,(H,13,14)(H,15,16)
InChIKeyBIMNCKMENTXWSQ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.62
Rot. Bonds4

About 2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid

2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid (PubChem CID 80508464) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid
PubChem CID80508464
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid
SMILESN#Cc1ccnnc1NC(C(=O)O)C1CC1
InChIInChI=1S/C10H10N4O2/c11-5-7-3-4-12-14-9(7)13-8(10(15)16)6-1-2-6/h3-4,6,8H,1-2H2,(H,13,14)(H,15,16)
InChIKeyBIMNCKMENTXWSQ-UHFFFAOYSA-N
XLogP0.62
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid (CID 80508464) is 2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid is N#Cc1ccnnc1NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid?
The InChIKey is BIMNCKMENTXWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-5-7-3-4-12-14-9(7)13-8(10(15)16)6-1-2-6/h3-4,6,8H,1-2H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid?
2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid has a molecular weight of 218.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 80508464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).