5-methyl-4a,5-dihydrophthalazine

C9H10N2 — CID 89129902

IUPAC5-methyl-4a,5-dihydrophthalazine
SMILESCC1C=CC=C2C=NN=CC21
InChIInChI=1S/C9H10N2/c1-7-3-2-4-8-5-10-11-6-9(7)8/h2-7,9H,1H3
InChIKeyXBUIMKJGWKIZND-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.81
Rot. Bonds

About 5-methyl-4a,5-dihydrophthalazine

5-methyl-4a,5-dihydrophthalazine (PubChem CID 89129902) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-methyl-4a,5-dihydrophthalazine.

Molecular Properties

Compound Name5-methyl-4a,5-dihydrophthalazine
PubChem CID89129902
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name5-methyl-4a,5-dihydrophthalazine
SMILESCC1C=CC=C2C=NN=CC21
InChIInChI=1S/C9H10N2/c1-7-3-2-4-8-5-10-11-6-9(7)8/h2-7,9H,1H3
InChIKeyXBUIMKJGWKIZND-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
1-Methyl-4a,5,8,8a-tetrahydrophthalazine
CID 21040374
4a,8a-Dihydrophthalazine
CID 22944400
(4S)-1,4-dimethyl-4,4a-dihydroisoquinoline
CID 68330512
5,8-Dimethyl-4a,5-dihydrophthalazine
CID 89038756
5-Methyl-4a,8a-dihydroisoquinoline
CID 89192315
(Z)-3-(6-methylcyclohexa-2,4-dien-1-yl)but-2-en-1-imine
CID 90394680
5-Methyl-4a,5-dihydroisoquinoline
CID 90748969
(Z)-3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine
CID 117615153
(Z)-(5,6-dimethylcyclohexa-2,4-dien-1-yl)methylidenehydrazine
CID 121451422
4,4a-Dihydrocinnoline
CID 130338578
4-Methyl-4,4a-dihydrocinnoline
CID 130347194

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4a,5-dihydrophthalazine?
The IUPAC name of 5-methyl-4a,5-dihydrophthalazine (CID 89129902) is 5-methyl-4a,5-dihydrophthalazine.
What is the SMILES notation for 5-methyl-4a,5-dihydrophthalazine?
The canonical SMILES for 5-methyl-4a,5-dihydrophthalazine is CC1C=CC=C2C=NN=CC21.
What is the InChIKey of 5-methyl-4a,5-dihydrophthalazine?
The InChIKey is XBUIMKJGWKIZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-3-2-4-8-5-10-11-6-9(7)8/h2-7,9H,1H3.
What are the key properties of 5-methyl-4a,5-dihydrophthalazine?
5-methyl-4a,5-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 5-methyl-4a,5-dihydrophthalazine is sourced from PubChem (CID 89129902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).