1-phenyl-5,6,7,8-tetrahydrophthalazine

C14H14N2 — CID 102496179

IUPAC1-phenyl-5,6,7,8-tetrahydrophthalazine
SMILESc1ccc(-c2nncc3c2CCCC3)cc1
InChIInChI=1S/C14H14N2/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-16-14/h1-3,6-7,10H,4-5,8-9H2
InChIKeyQXDPFBCJIYHKEY-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.02
Rot. Bonds1

About 1-phenyl-5,6,7,8-tetrahydrophthalazine

1-phenyl-5,6,7,8-tetrahydrophthalazine (PubChem CID 102496179) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-phenyl-5,6,7,8-tetrahydrophthalazine.

Molecular Properties

Compound Name1-phenyl-5,6,7,8-tetrahydrophthalazine
PubChem CID102496179
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1-phenyl-5,6,7,8-tetrahydrophthalazine
SMILESc1ccc(-c2nncc3c2CCCC3)cc1
InChIInChI=1S/C14H14N2/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-16-14/h1-3,6-7,10H,4-5,8-9H2
InChIKeyQXDPFBCJIYHKEY-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline
CID 10850716
trimethyl-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)silane
CID 11391887
5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl(phenyl)methanamine
CID 118550693
4-(1-phenyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)aniline
CID 121289160
benzyl 5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine-4-carboxylate
CID 134337070
4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 139297356
4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine
CID 86614164
(5R,6S)-10-(4-cyclobutylphenyl)-5-methyl-11,12-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 146507180
2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 6426041
1-phenylphthalazine
CID 609624
3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole
CID 153492990
ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine
CID 177039053

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5,6,7,8-tetrahydrophthalazine?
The IUPAC name of 1-phenyl-5,6,7,8-tetrahydrophthalazine (CID 102496179) is 1-phenyl-5,6,7,8-tetrahydrophthalazine.
What is the SMILES notation for 1-phenyl-5,6,7,8-tetrahydrophthalazine?
The canonical SMILES for 1-phenyl-5,6,7,8-tetrahydrophthalazine is c1ccc(-c2nncc3c2CCCC3)cc1.
What is the InChIKey of 1-phenyl-5,6,7,8-tetrahydrophthalazine?
The InChIKey is QXDPFBCJIYHKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-16-14/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 1-phenyl-5,6,7,8-tetrahydrophthalazine?
1-phenyl-5,6,7,8-tetrahydrophthalazine has a molecular weight of 210.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5,6,7,8-tetrahydrophthalazine is sourced from PubChem (CID 102496179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).