3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine

C16H20ClN5O — CID 126861782

IUPAC3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine
SMILESCc1ccc(OCCN2CCN(c3ccncc3Cl)CC2)nn1
InChIInChI=1S/C16H20ClN5O/c1-13-2-3-16(20-19-13)23-11-10-21-6-8-22(9-7-21)15-4-5-18-12-14(15)17/h2-5,12H,6-11H2,1H3
InChIKeyBGKVAIGNQXIMEU-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.03
Rot. Bonds5

About 3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine

3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine (PubChem CID 126861782) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine.

Molecular Properties

Compound Name3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine
PubChem CID126861782
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine
SMILESCc1ccc(OCCN2CCN(c3ccncc3Cl)CC2)nn1
InChIInChI=1S/C16H20ClN5O/c1-13-2-3-16(20-19-13)23-11-10-21-6-8-22(9-7-21)15-4-5-18-12-14(15)17/h2-5,12H,6-11H2,1H3
InChIKeyBGKVAIGNQXIMEU-UHFFFAOYSA-N
XLogP2.03
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine?
The IUPAC name of 3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine (CID 126861782) is 3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine.
What is the SMILES notation for 3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine?
The canonical SMILES for 3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine is Cc1ccc(OCCN2CCN(c3ccncc3Cl)CC2)nn1.
What is the InChIKey of 3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine?
The InChIKey is BGKVAIGNQXIMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-13-2-3-16(20-19-13)23-11-10-21-6-8-22(9-7-21)15-4-5-18-12-14(15)17/h2-5,12H,6-11H2,1H3.
What are the key properties of 3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine?
3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine has a molecular weight of 333.82 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine is sourced from PubChem (CID 126861782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).