2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid

C14H21N3O3 — CID 114398205

IUPAC2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid
SMILESCCCN(C)c1cnn(CC2(CC(=O)O)CC2)c(=O)c1
InChIInChI=1S/C14H21N3O3/c1-3-6-16(2)11-7-12(18)17(15-9-11)10-14(4-5-14)8-13(19)20/h7,9H,3-6,8,10H2,1-2H3,(H,19,20)
InChIKeyMLNCEYOOIMXTLN-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.34
Rot. Bonds7

About 2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid

2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid (PubChem CID 114398205) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid
PubChem CID114398205
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid
SMILESCCCN(C)c1cnn(CC2(CC(=O)O)CC2)c(=O)c1
InChIInChI=1S/C14H21N3O3/c1-3-6-16(2)11-7-12(18)17(15-9-11)10-14(4-5-14)8-13(19)20/h7,9H,3-6,8,10H2,1-2H3,(H,19,20)
InChIKeyMLNCEYOOIMXTLN-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid (CID 114398205) is 2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid is CCCN(C)c1cnn(CC2(CC(=O)O)CC2)c(=O)c1.
What is the InChIKey of 2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid?
The InChIKey is MLNCEYOOIMXTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-6-16(2)11-7-12(18)17(15-9-11)10-14(4-5-14)8-13(19)20/h7,9H,3-6,8,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid?
2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 114398205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).