2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid

C18H29N5O2 — CID 19068127

IUPAC2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCN(CCNc3ccnnc3)CC2)CC1
InChIInChI=1S/C18H29N5O2/c24-18(25)13-15-1-3-17(4-2-15)23-11-9-22(10-12-23)8-7-19-16-5-6-20-21-14-16/h5-6,14-15,17H,1-4,7-13H2,(H,19,20)(H,24,25)
InChIKeyKKXJZYLIWDNPDZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.54
Rot. Bonds7

About 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid

2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid (PubChem CID 19068127) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid
PubChem CID19068127
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCN(CCNc3ccnnc3)CC2)CC1
InChIInChI=1S/C18H29N5O2/c24-18(25)13-15-1-3-17(4-2-15)23-11-9-22(10-12-23)8-7-19-16-5-6-20-21-14-16/h5-6,14-15,17H,1-4,7-13H2,(H,19,20)(H,24,25)
InChIKeyKKXJZYLIWDNPDZ-UHFFFAOYSA-N
XLogP1.54
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid (CID 19068127) is 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid is O=C(O)CC1CCC(N2CCN(CCNc3ccnnc3)CC2)CC1.
What is the InChIKey of 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid?
The InChIKey is KKXJZYLIWDNPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c24-18(25)13-15-1-3-17(4-2-15)23-11-9-22(10-12-23)8-7-19-16-5-6-20-21-14-16/h5-6,14-15,17H,1-4,7-13H2,(H,19,20)(H,24,25).
What are the key properties of 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid?
2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid has a molecular weight of 347.46 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 19068127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).