6-pentylphthalazine

C13H16N2 — CID 21134765

IUPAC6-pentylphthalazine
SMILESCCCCCc1ccc2cnncc2c1
InChIInChI=1S/C13H16N2/c1-2-3-4-5-11-6-7-12-9-14-15-10-13(12)8-11/h6-10H,2-5H2,1H3
InChIKeyHTVJAVCTTPDDBM-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.36
Rot. Bonds4

About 6-pentylphthalazine

6-pentylphthalazine (PubChem CID 21134765) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-pentylphthalazine.

Molecular Properties

Compound Name6-pentylphthalazine
PubChem CID21134765
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name6-pentylphthalazine
SMILESCCCCCc1ccc2cnncc2c1
InChIInChI=1S/C13H16N2/c1-2-3-4-5-11-6-7-12-9-14-15-10-13(12)8-11/h6-10H,2-5H2,1H3
InChIKeyHTVJAVCTTPDDBM-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trimethyl-(6-pentylnaphthalen-2-yl)silane
CID 132535559
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
2,7-dipentylpyrene
CID 174968466
2-butyl-6-propylnaphthalene
CID 58232616
5-dodecyl-1H-indazole
CID 67799721
2-butyl-6-propylnaphthalene;propane
CID 123540121
7,20-dipentylhexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411397
7-octylanthracen-2-amine
CID 87887056
2-pentylnaphthalene;prop-1-ene
CID 173098363
phthalazin-6-ylmethanol
CID 21134815
2-butylpentacene
CID 172754039

Frequently Asked Questions

What is the IUPAC name of 6-pentylphthalazine?
The IUPAC name of 6-pentylphthalazine (CID 21134765) is 6-pentylphthalazine.
What is the SMILES notation for 6-pentylphthalazine?
The canonical SMILES for 6-pentylphthalazine is CCCCCc1ccc2cnncc2c1.
What is the InChIKey of 6-pentylphthalazine?
The InChIKey is HTVJAVCTTPDDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-3-4-5-11-6-7-12-9-14-15-10-13(12)8-11/h6-10H,2-5H2,1H3.
What are the key properties of 6-pentylphthalazine?
6-pentylphthalazine has a molecular weight of 200.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentylphthalazine is sourced from PubChem (CID 21134765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).