6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one

C10H13ClN6O — CID 164749637

IUPAC6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one
SMILESCC(C)n1cc(Nc2cc(Cl)nn(C)c2=O)nn1
InChIInChI=1S/C10H13ClN6O/c1-6(2)17-5-9(13-15-17)12-7-4-8(11)14-16(3)10(7)18/h4-6,12H,1-3H3
InChIKeyRRTPFOWGAPQKAG-UHFFFAOYSA-N
MW268.71 g/mol
LogP1.35
Rot. Bonds3

About 6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one

6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one (PubChem CID 164749637) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one
PubChem CID164749637
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one
SMILESCC(C)n1cc(Nc2cc(Cl)nn(C)c2=O)nn1
InChIInChI=1S/C10H13ClN6O/c1-6(2)17-5-9(13-15-17)12-7-4-8(11)14-16(3)10(7)18/h4-6,12H,1-3H3
InChIKeyRRTPFOWGAPQKAG-UHFFFAOYSA-N
XLogP1.35
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one?
The IUPAC name of 6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one (CID 164749637) is 6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one?
The canonical SMILES for 6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one is CC(C)n1cc(Nc2cc(Cl)nn(C)c2=O)nn1.
What is the InChIKey of 6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one?
The InChIKey is RRTPFOWGAPQKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c1-6(2)17-5-9(13-15-17)12-7-4-8(11)14-16(3)10(7)18/h4-6,12H,1-3H3.
What are the key properties of 6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one?
6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one has a molecular weight of 268.71 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-[(1-propan-2-yltriazol-4-yl)amino]pyridazin-3-one is sourced from PubChem (CID 164749637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).