3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine

C12H19ClN4 — CID 59543422

IUPAC3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine
SMILESCC(C)N1CCN(Cc2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H19ClN4/c1-10(2)17-7-5-16(6-8-17)9-11-3-4-12(13)15-14-11/h3-4,10H,5-9H2,1-2H3
InChIKeyUZNOHUGZUYWBNW-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.66
Rot. Bonds3

About 3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine

3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine (PubChem CID 59543422) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine
PubChem CID59543422
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine
SMILESCC(C)N1CCN(Cc2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H19ClN4/c1-10(2)17-7-5-16(6-8-17)9-11-3-4-12(13)15-14-11/h3-4,10H,5-9H2,1-2H3
InChIKeyUZNOHUGZUYWBNW-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine (CID 59543422) is 3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine is CC(C)N1CCN(Cc2ccc(Cl)nn2)CC1.
What is the InChIKey of 3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine?
The InChIKey is UZNOHUGZUYWBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-10(2)17-7-5-16(6-8-17)9-11-3-4-12(13)15-14-11/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine?
3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine has a molecular weight of 254.76 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine is sourced from PubChem (CID 59543422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).