4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one

C8H9ClN2O2 — CID 129452221

IUPAC4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one
SMILESO=c1c(Cl)c(O)cnn1CC1CC1
InChIInChI=1S/C8H9ClN2O2/c9-7-6(12)3-10-11(8(7)13)4-5-1-2-5/h3,5,12H,1-2,4H2
InChIKeyVLYAAEKZWUTMHO-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.01
Rot. Bonds2

About 4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one

4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one (PubChem CID 129452221) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one
PubChem CID129452221
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one
SMILESO=c1c(Cl)c(O)cnn1CC1CC1
InChIInChI=1S/C8H9ClN2O2/c9-7-6(12)3-10-11(8(7)13)4-5-1-2-5/h3,5,12H,1-2,4H2
InChIKeyVLYAAEKZWUTMHO-UHFFFAOYSA-N
XLogP1.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one?
The IUPAC name of 4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one (CID 129452221) is 4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one?
The canonical SMILES for 4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one is O=c1c(Cl)c(O)cnn1CC1CC1.
What is the InChIKey of 4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one?
The InChIKey is VLYAAEKZWUTMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-7-6(12)3-10-11(8(7)13)4-5-1-2-5/h3,5,12H,1-2,4H2.
What are the key properties of 4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one?
4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one has a molecular weight of 200.62 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylmethyl)-5-hydroxypyridazin-3-one is sourced from PubChem (CID 129452221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).