4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one

C10H16ClN3O2 — CID 114433229

IUPAC4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)CO)c(Cl)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-3-4-14-10(16)9(11)8(5-12-14)13-7(2)6-15/h5,7,13,15H,3-4,6H2,1-2H3
InChIKeyDQXGSGLOYIDITC-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.10
Rot. Bonds5

About 4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one

4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one (PubChem CID 114433229) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
PubChem CID114433229
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)CO)c(Cl)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-3-4-14-10(16)9(11)8(5-12-14)13-7(2)6-15/h5,7,13,15H,3-4,6H2,1-2H3
InChIKeyDQXGSGLOYIDITC-UHFFFAOYSA-N
XLogP1.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one
CID 114433216
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114442160
4-chloro-5-(heptan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435383
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one
CID 114442887
4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114435760
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 114441510
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
4-chloro-2-(2-hydroxyethyl)-5-(1-methylsulfanylpropan-2-ylamino)pyridazin-3-one
CID 114442164
4-chloro-2-[2-(dimethylamino)ethyl]-5-(pentan-2-ylamino)pyridazin-3-one
CID 114432002
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one (CID 114433229) is 4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one is CCCn1ncc(NC(C)CO)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one?
The InChIKey is DQXGSGLOYIDITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-3-4-14-10(16)9(11)8(5-12-14)13-7(2)6-15/h5,7,13,15H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one?
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one has a molecular weight of 245.71 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114433229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).