5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole

C17H16N4 — CID 139563365

IUPAC5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole
SMILESC=C(CCC(=C)c1ccc2[nH]ncc2c1)c1ccnnc1
InChIInChI=1S/C17H16N4/c1-12(3-4-13(2)15-7-8-18-19-10-15)14-5-6-17-16(9-14)11-20-21-17/h5-11H,1-4H2,(H,20,21)
InChIKeyZZPMREJWTPKNTL-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.86
Rot. Bonds5

About 5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole

5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole (PubChem CID 139563365) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole
PubChem CID139563365
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole
SMILESC=C(CCC(=C)c1ccc2[nH]ncc2c1)c1ccnnc1
InChIInChI=1S/C17H16N4/c1-12(3-4-13(2)15-7-8-18-19-10-15)14-5-6-17-16(9-14)11-20-21-17/h5-11H,1-4H2,(H,20,21)
InChIKeyZZPMREJWTPKNTL-UHFFFAOYSA-N
XLogP3.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole?
The IUPAC name of 5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole (CID 139563365) is 5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole.
What is the SMILES notation for 5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole?
The canonical SMILES for 5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole is C=C(CCC(=C)c1ccc2[nH]ncc2c1)c1ccnnc1.
What is the InChIKey of 5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole?
The InChIKey is ZZPMREJWTPKNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-12(3-4-13(2)15-7-8-18-19-10-15)14-5-6-17-16(9-14)11-20-21-17/h5-11H,1-4H2,(H,20,21).
What are the key properties of 5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole?
5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole has a molecular weight of 276.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole is sourced from PubChem (CID 139563365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).