3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine

C9H14N2 — CID 154385450

IUPAC3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine
SMILESCN1CC2=CC=CCC2CN1
InChIInChI=1S/C9H14N2/c1-11-7-9-5-3-2-4-8(9)6-10-11/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyGHFQXNMZTISBPB-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.94
Rot. Bonds

About 3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine

3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine (PubChem CID 154385450) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine.

Molecular Properties

Compound Name3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine
PubChem CID154385450
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine
SMILESCN1CC2=CC=CCC2CN1
InChIInChI=1S/C9H14N2/c1-11-7-9-5-3-2-4-8(9)6-10-11/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyGHFQXNMZTISBPB-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143466131
1,2,3,4,4a,8a-Hexahydrocinnoline
CID 18771128
1,2,3,4,4a,5-Hexahydrophthalazine
CID 22751167
3,4,4a,5-tetrahydro-1H-isoquinolin-2-amine
CID 67114288
9-Methyl-1,2-diazabicyclo[3.3.1]non-6-ene
CID 90909223
(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane
CID 144825298
6-Methyl-1,2,3,4,4a,8a-hexahydrocinnoline
CID 133060086

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine?
The IUPAC name of 3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine (CID 154385450) is 3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine.
What is the SMILES notation for 3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine?
The canonical SMILES for 3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine is CN1CC2=CC=CCC2CN1.
What is the InChIKey of 3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine?
The InChIKey is GHFQXNMZTISBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-11-7-9-5-3-2-4-8(9)6-10-11/h2-3,5,8,10H,4,6-7H2,1H3.
What are the key properties of 3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine?
3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine has a molecular weight of 150.22 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine is sourced from PubChem (CID 154385450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).