2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol

C13H23N5O — CID 61095816

IUPAC2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol
SMILESCc1nnc(N2CCN(CCO)CC2)c(CN)c1C
InChIInChI=1S/C13H23N5O/c1-10-11(2)15-16-13(12(10)9-14)18-5-3-17(4-6-18)7-8-19/h19H,3-9,14H2,1-2H3
InChIKeyVFLDFPNGJTVHOC-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.33
Rot. Bonds4

About 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol

2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol (PubChem CID 61095816) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol
PubChem CID61095816
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol
SMILESCc1nnc(N2CCN(CCO)CC2)c(CN)c1C
InChIInChI=1S/C13H23N5O/c1-10-11(2)15-16-13(12(10)9-14)18-5-3-17(4-6-18)7-8-19/h19H,3-9,14H2,1-2H3
InChIKeyVFLDFPNGJTVHOC-UHFFFAOYSA-N
XLogP-0.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol (CID 61095816) is 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol is Cc1nnc(N2CCN(CCO)CC2)c(CN)c1C.
What is the InChIKey of 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol?
The InChIKey is VFLDFPNGJTVHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-11(2)15-16-13(12(10)9-14)18-5-3-17(4-6-18)7-8-19/h19H,3-9,14H2,1-2H3.
What are the key properties of 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol?
2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol has a molecular weight of 265.36 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 61095816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).