5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one

C8H11ClN4O — CID 114445962

IUPAC5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(NC2CNC2)c(Cl)c1=O
InChIInChI=1S/C8H11ClN4O/c1-13-8(14)7(9)6(4-11-13)12-5-2-10-3-5/h4-5,10,12H,2-3H2,1H3
InChIKeyGZHCENKGUMJQPY-UHFFFAOYSA-N
MW214.66 g/mol
LogP-0.18
Rot. Bonds2

About 5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one

5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one (PubChem CID 114445962) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one
PubChem CID114445962
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(NC2CNC2)c(Cl)c1=O
InChIInChI=1S/C8H11ClN4O/c1-13-8(14)7(9)6(4-11-13)12-5-2-10-3-5/h4-5,10,12H,2-3H2,1H3
InChIKeyGZHCENKGUMJQPY-UHFFFAOYSA-N
XLogP-0.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one (CID 114445962) is 5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one is Cn1ncc(NC2CNC2)c(Cl)c1=O.
What is the InChIKey of 5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one?
The InChIKey is GZHCENKGUMJQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c1-13-8(14)7(9)6(4-11-13)12-5-2-10-3-5/h4-5,10,12H,2-3H2,1H3.
What are the key properties of 5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one?
5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one has a molecular weight of 214.66 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylamino)-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 114445962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).