6-methyl-4a,8a-dihydrophthalazine

C9H10N2 — CID 146550838

IUPAC6-methyl-4a,8a-dihydrophthalazine
SMILESCC1=CC2C=NN=CC2C=C1
InChIInChI=1S/C9H10N2/c1-7-2-3-8-5-10-11-6-9(8)4-7/h2-6,8-9H,1H3
InChIKeyLJFKZALVRPUXSJ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.81
Rot. Bonds

About 6-methyl-4a,8a-dihydrophthalazine

6-methyl-4a,8a-dihydrophthalazine (PubChem CID 146550838) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 6-methyl-4a,8a-dihydrophthalazine.

Molecular Properties

Compound Name6-methyl-4a,8a-dihydrophthalazine
PubChem CID146550838
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name6-methyl-4a,8a-dihydrophthalazine
SMILESCC1=CC2C=NN=CC2C=C1
InChIInChI=1S/C9H10N2/c1-7-2-3-8-5-10-11-6-9(8)4-7/h2-6,8-9H,1H3
InChIKeyLJFKZALVRPUXSJ-UHFFFAOYSA-N
XLogP1.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-4a,5,8,8a-tetrahydrophthalazine
CID 21022820
4a,8a-Dihydrophthalazine
CID 22944400
N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 67966293
(4-Methylcyclohexa-2,4-dien-1-yl)methanimine
CID 88562250
5,8-Dimethyl-4a,5-dihydrophthalazine
CID 89038756
5-Methyl-4a,5-dihydrophthalazine
CID 89129902
(4-Ethylcyclohexa-2,4-dien-1-yl)methanimine
CID 89404715
N-methyl-1-[6-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]methanimine
CID 117814156
(Z)-(5,6-dimethylcyclohexa-2,4-dien-1-yl)methylidenehydrazine
CID 121451422
(1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine
CID 123708932
4-Methyl-4,4a-dihydrocinnoline
CID 130347194
(1Z,2Z,5Z,7Z)-4,5-dimethyl-4,9-dihydrodiazecine
CID 132124723

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4a,8a-dihydrophthalazine?
The IUPAC name of 6-methyl-4a,8a-dihydrophthalazine (CID 146550838) is 6-methyl-4a,8a-dihydrophthalazine.
What is the SMILES notation for 6-methyl-4a,8a-dihydrophthalazine?
The canonical SMILES for 6-methyl-4a,8a-dihydrophthalazine is CC1=CC2C=NN=CC2C=C1.
What is the InChIKey of 6-methyl-4a,8a-dihydrophthalazine?
The InChIKey is LJFKZALVRPUXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-2-3-8-5-10-11-6-9(8)4-7/h2-6,8-9H,1H3.
What are the key properties of 6-methyl-4a,8a-dihydrophthalazine?
6-methyl-4a,8a-dihydrophthalazine has a molecular weight of 146.19 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4a,8a-dihydrophthalazine is sourced from PubChem (CID 146550838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).