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

C14H24N4O — CID 54995088

IUPAC2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol
SMILESCc1nnc(N(CCO)C2CCCC2)c(CN)c1C
InChIInChI=1S/C14H24N4O/c1-10-11(2)16-17-14(13(10)9-15)18(7-8-19)12-5-3-4-6-12/h12,19H,3-9,15H2,1-2H3
InChIKeyCIMFAGNKERQCHE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.29
Rot. Bonds5

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

2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol (PubChem CID 54995088) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol
PubChem CID54995088
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol
SMILESCc1nnc(N(CCO)C2CCCC2)c(CN)c1C
InChIInChI=1S/C14H24N4O/c1-10-11(2)16-17-14(13(10)9-15)18(7-8-19)12-5-3-4-6-12/h12,19H,3-9,15H2,1-2H3
InChIKeyCIMFAGNKERQCHE-UHFFFAOYSA-N
XLogP1.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol (CID 54995088) is 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol is Cc1nnc(N(CCO)C2CCCC2)c(CN)c1C.
What is the InChIKey of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol?
The InChIKey is CIMFAGNKERQCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-11(2)16-17-14(13(10)9-15)18(7-8-19)12-5-3-4-6-12/h12,19H,3-9,15H2,1-2H3.
What are the key properties of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol?
2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-cyclopentylamino]ethanol is sourced from PubChem (CID 54995088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).