6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C19H24N6 — CID 95348946

IUPAC6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC[C@@H](CCc1ccccc1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C19H24N6/c1-16(7-8-17-5-3-2-4-6-17)23-11-13-24(14-12-23)19-10-9-18-21-20-15-25(18)22-19/h2-6,9-10,15-16H,7-8,11-14H2,1H3/t16-/m0/s1
InChIKeyYJNFZJQZNJAFGF-INIZCTEOSA-N
MW336.44 g/mol
LogP2.27
Rot. Bonds5

About 6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 95348946) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID95348946
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC[C@@H](CCc1ccccc1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C19H24N6/c1-16(7-8-17-5-3-2-4-6-17)23-11-13-24(14-12-23)19-10-9-18-21-20-15-25(18)22-19/h2-6,9-10,15-16H,7-8,11-14H2,1H3/t16-/m0/s1
InChIKeyYJNFZJQZNJAFGF-INIZCTEOSA-N
XLogP2.27
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 95348946) is 6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is C[C@@H](CCc1ccccc1)N1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of 6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is YJNFZJQZNJAFGF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N6/c1-16(7-8-17-5-3-2-4-6-17)23-11-13-24(14-12-23)19-10-9-18-21-20-15-25(18)22-19/h2-6,9-10,15-16H,7-8,11-14H2,1H3/t16-/m0/s1.
What are the key properties of 6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 336.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 95348946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).