4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one

C12H19ClN4O — CID 113231653

IUPAC4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one
SMILESCCN(CCNc1cnn(C)c(=O)c1Cl)C1CC1
InChIInChI=1S/C12H19ClN4O/c1-3-17(9-4-5-9)7-6-14-10-8-15-16(2)12(18)11(10)13/h8-9,14H,3-7H2,1-2H3
InChIKeyTVANZTBDNGVCDD-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.33
Rot. Bonds6

About 4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one

4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one (PubChem CID 113231653) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one
PubChem CID113231653
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one
SMILESCCN(CCNc1cnn(C)c(=O)c1Cl)C1CC1
InChIInChI=1S/C12H19ClN4O/c1-3-17(9-4-5-9)7-6-14-10-8-15-16(2)12(18)11(10)13/h8-9,14H,3-7H2,1-2H3
InChIKeyTVANZTBDNGVCDD-UHFFFAOYSA-N
XLogP1.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one (CID 113231653) is 4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one is CCN(CCNc1cnn(C)c(=O)c1Cl)C1CC1.
What is the InChIKey of 4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one?
The InChIKey is TVANZTBDNGVCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-3-17(9-4-5-9)7-6-14-10-8-15-16(2)12(18)11(10)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one?
4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one has a molecular weight of 270.76 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 113231653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).