6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol

C16H24N6O — CID 156886248

IUPAC6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol
SMILESNCCN1CCN(c2cc(C3=CCCC=C3O)nnc2N)CC1
InChIInChI=1S/C16H24N6O/c17-5-6-21-7-9-22(10-8-21)14-11-13(19-20-16(14)18)12-3-1-2-4-15(12)23/h3-4,11,23H,1-2,5-10,17H2,(H2,18,20)
InChIKeyVTZMCNIXOSUJHC-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.76
Rot. Bonds4

About 6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol

6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol (PubChem CID 156886248) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol
PubChem CID156886248
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol
SMILESNCCN1CCN(c2cc(C3=CCCC=C3O)nnc2N)CC1
InChIInChI=1S/C16H24N6O/c17-5-6-21-7-9-22(10-8-21)14-11-13(19-20-16(14)18)12-3-1-2-4-15(12)23/h3-4,11,23H,1-2,5-10,17H2,(H2,18,20)
InChIKeyVTZMCNIXOSUJHC-UHFFFAOYSA-N
XLogP0.76
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol (CID 156886248) is 6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol is NCCN1CCN(c2cc(C3=CCCC=C3O)nnc2N)CC1.
What is the InChIKey of 6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol?
The InChIKey is VTZMCNIXOSUJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c17-5-6-21-7-9-22(10-8-21)14-11-13(19-20-16(14)18)12-3-1-2-4-15(12)23/h3-4,11,23H,1-2,5-10,17H2,(H2,18,20).
What are the key properties of 6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol?
6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol has a molecular weight of 316.41 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-5-[4-(2-aminoethyl)piperazin-1-yl]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 156886248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).