5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one

C12H14ClN3O2 — CID 78913335

IUPAC5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one
SMILESCC(CCc1ccco1)Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C12H14ClN3O2/c1-8(4-5-9-3-2-6-18-9)15-10-7-14-16-12(17)11(10)13/h2-3,6-8H,4-5H2,1H3,(H2,15,16,17)
InChIKeyMGIPEEJBJDENNZ-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.45
Rot. Bonds5

About 5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one

5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one (PubChem CID 78913335) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one
PubChem CID78913335
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one
SMILESCC(CCc1ccco1)Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C12H14ClN3O2/c1-8(4-5-9-3-2-6-18-9)15-10-7-14-16-12(17)11(10)13/h2-3,6-8H,4-5H2,1H3,(H2,15,16,17)
InChIKeyMGIPEEJBJDENNZ-UHFFFAOYSA-N
XLogP2.45
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(4-hydroxybutan-2-ylamino)-1H-pyridazin-6-one
CID 79003426
4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
CID 9340704
4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107787692
4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one
CID 97019777
4-chloro-5-[4-(furan-2-yl)butan-2-ylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436029
5-chloro-4-(pent-4-yn-2-ylamino)-1H-pyridazin-6-one
CID 115658824
2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one
CID 136747972
4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one
CID 114436028
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
[2-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43743342
4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136975015
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one (CID 78913335) is 5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one is CC(CCc1ccco1)Nc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one?
The InChIKey is MGIPEEJBJDENNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-8(4-5-9-3-2-6-18-9)15-10-7-14-16-12(17)11(10)13/h2-3,6-8H,4-5H2,1H3,(H2,15,16,17).
What are the key properties of 5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one?
5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one has a molecular weight of 267.72 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 78913335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).