8-methyl-1,4,4a,5-tetrahydrophthalazine

C9H12N2 — CID 91357672

IUPAC8-methyl-1,4,4a,5-tetrahydrophthalazine
SMILESCC1=C2CN=NCC2CC=C1
InChIInChI=1S/C9H12N2/c1-7-3-2-4-8-5-10-11-6-9(7)8/h2-3,8H,4-6H2,1H3
InChIKeyQEXBGAQWYZHYNH-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.34
Rot. Bonds

About 8-methyl-1,4,4a,5-tetrahydrophthalazine

8-methyl-1,4,4a,5-tetrahydrophthalazine (PubChem CID 91357672) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 8-methyl-1,4,4a,5-tetrahydrophthalazine.

Molecular Properties

Compound Name8-methyl-1,4,4a,5-tetrahydrophthalazine
PubChem CID91357672
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name8-methyl-1,4,4a,5-tetrahydrophthalazine
SMILESCC1=C2CN=NCC2CC=C1
InChIInChI=1S/C9H12N2/c1-7-3-2-4-8-5-10-11-6-9(7)8/h2-3,8H,4-6H2,1H3
InChIKeyQEXBGAQWYZHYNH-UHFFFAOYSA-N
XLogP2.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene
CID 58272050
3,4,4a,8a-Tetrahydrocinnoline
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7,8-Dimethyl-6,7-dihydrocinnoline
CID 89495255
4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine
CID 91323824
1-[4-(Azidomethyl)cyclohexa-1,5-dien-1-yl]-4-methylcyclohexa-1,3-diene
CID 118227562
1-(Azidomethyl)-3-methylcyclohexa-1,3-diene
CID 130328622
(2-Methyl-2,3-dihydronaphthalen-1-yl)methanamine
CID 142558605
1,8a-Dihydrophthalazine;but-2-ene
CID 144612678
(2,4-Dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene
CID 163901863
2-(Azidomethyl)-2,3-dihydronaphthalene
CID 174511419

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4,4a,5-tetrahydrophthalazine?
The IUPAC name of 8-methyl-1,4,4a,5-tetrahydrophthalazine (CID 91357672) is 8-methyl-1,4,4a,5-tetrahydrophthalazine.
What is the SMILES notation for 8-methyl-1,4,4a,5-tetrahydrophthalazine?
The canonical SMILES for 8-methyl-1,4,4a,5-tetrahydrophthalazine is CC1=C2CN=NCC2CC=C1.
What is the InChIKey of 8-methyl-1,4,4a,5-tetrahydrophthalazine?
The InChIKey is QEXBGAQWYZHYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-3-2-4-8-5-10-11-6-9(7)8/h2-3,8H,4-6H2,1H3.
What are the key properties of 8-methyl-1,4,4a,5-tetrahydrophthalazine?
8-methyl-1,4,4a,5-tetrahydrophthalazine has a molecular weight of 148.21 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4,4a,5-tetrahydrophthalazine is sourced from PubChem (CID 91357672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).