1-phenylphthalazine

C14H10N2 — CID 609624

IUPAC1-phenylphthalazine
SMILESc1ccc(-c2nncc3ccccc23)cc1
InChIInChI=1S/C14H10N2/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-16-14/h1-10H
InChIKeyKHIILJVSYUGMSE-UHFFFAOYSA-N
MW206.25 g/mol
LogP3.30
Rot. Bonds1

About 1-phenylphthalazine

1-phenylphthalazine (PubChem CID 609624) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-phenylphthalazine.

Molecular Properties

Compound Name1-phenylphthalazine
PubChem CID609624
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name1-phenylphthalazine
SMILESc1ccc(-c2nncc3ccccc23)cc1
InChIInChI=1S/C14H10N2/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-16-14/h1-10H
InChIKeyKHIILJVSYUGMSE-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-phthalazin-1-ylphenol
CID 150345574
1-quinazolin-2-ylphthalazine
CID 57181955
3-bromo-5-phthalazin-1-yl-1H-pyridin-2-one
CID 57233263
3-amino-5-phthalazin-1-yl-1H-pyridin-2-one
CID 57217859
1,1'-biphenyl;phthalazine
CID 158397766
1-(2,4-difluorophenyl)phthalazine
CID 175330738
4-bromo-3-phenylisoquinoline
CID 152778536
[4-phthalazin-1-yl-2-(trifluoromethyl)phenyl]methanamine
CID 157040015
2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline
CID 140979665
1-phenylpyridazino[4,5-d]pyridazine-4,5-diamine
CID 53375996
5-chloro-3,4-diphenylpyridazine
CID 70481559
3-bromo-1-phenylisoquinoline
CID 126560362

Frequently Asked Questions

What is the IUPAC name of 1-phenylphthalazine?
The IUPAC name of 1-phenylphthalazine (CID 609624) is 1-phenylphthalazine.
What is the SMILES notation for 1-phenylphthalazine?
The canonical SMILES for 1-phenylphthalazine is c1ccc(-c2nncc3ccccc23)cc1.
What is the InChIKey of 1-phenylphthalazine?
The InChIKey is KHIILJVSYUGMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-16-14/h1-10H.
What are the key properties of 1-phenylphthalazine?
1-phenylphthalazine has a molecular weight of 206.25 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylphthalazine is sourced from PubChem (CID 609624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).